天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 956317-36-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 956317-36-5
Chemical Structure| 956317-36-5
Structure of 956317-36-5 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 956317-36-5 ]

Related Doc. of [ 956317-36-5 ]

Alternatived Products of [ 956317-36-5 ]
Product Citations

Product Details of [ 956317-36-5 ]

CAS No. :956317-36-5 MDL No. :MFCD18382679
Formula : C10H9N3O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :SRBAGFIYKNQXDV-UHFFFAOYSA-N
M.W : 203.20 Pubchem ID :53260165
Synonyms :

Calculated chemistry of [ 956317-36-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.1
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 53.28
TPSA : 68.01 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.48
Log Po/w (XLOGP3) : 1.79
Log Po/w (WLOGP) : 1.27
Log Po/w (MLOGP) : 0.47
Log Po/w (SILICOS-IT) : 0.81
Consensus Log Po/w : 1.16

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.64
Solubility : 0.467 mg/ml ; 0.0023 mol/l
Class : Soluble
Log S (Ali) : -2.84
Solubility : 0.296 mg/ml ; 0.00146 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.32
Solubility : 0.97 mg/ml ; 0.00478 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.71

Safety of [ 956317-36-5 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 956317-36-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 956317-36-5 ]

[ 956317-36-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 288-36-8 ]
  • [ 6967-82-4 ]
  • [ 956317-36-5 ]
  • [ 1149352-55-5 ]
YieldReaction ConditionsOperation in experiment
With copper(l) iodide; (1S,2S)-N,N'-dimethyl-1,2-diaminocyclohexane; caesium carbonate; In N,N-dimethyl-formamide; at 120℃; for 1h;Microwave irradiation; 5-methyl-2-(2H- 1 .2.3-triazol-2-ylbenzoic acid and 5-methyl-2-( 1 H-i .2,3 -triazol- 1-ylbenzoic acid The mixture of <strong>[6967-82-4]2-bromo-5-methylbenzoic acid</strong> (1 g, 4.65 mmol), 1,2,3-triazole (0.58 g, 8.37 mmol), (1S,2S)-N1,N2-dimethylcyclohexane-1,2-diamine (0.265 g, 1.86 mmol), Cs2CO3 (3.0 g, 9.3 mmol) and CuT (0.089 g, 0.465 mmol) in DMF (15 mL) was degassed and heated at 120 C for lh in a microwave reactor. The reaction was cooled to RT, diluted with MeOH,and acidified with AcOH to pH45. The solvent was removed in vacuo to obtain the crude which was purified by silica gel chromatography (O 100% DCM/EtOAc) to obtain the faster eluting acid 5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid as the major product and the second eluting 5-methyl-2-(1H-1,2,3-triazol-1-yl)benzoic acid as the minor product. ESI-MS (mlz): 204, [M+1].
  • 2
  • [ 287114-25-4 ]
  • [ 956317-36-5 ]
  • C22H29N5O3 [ No CAS ]
  • 3
  • [ 956317-36-5 ]
  • [ 159877-36-8 ]
  • tert-butyl 6-(5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl)octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
500 mg With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20℃; A mixture of compound 6g (300 mg, 1.3 mmol),compound 12 (300 mg, 1.4 mmol), HATU (988 mg, 2.6 mmol) and TEA (260 mg, 2.6mmol) in DCM (30 mL) was stirred at r.t. for overnight. The reaction mixture wasdiluted with water and extracted with EtOAc. The organic layers was concentrated and purified by silica gel chromatography (eluting with petroleumether/EtOAc=20:1~3:1) to give compound 6h (500 mg, yield: 93.6%). MS (ESI): m/z412.1 [M+H]+
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 956317-36-5 ]

Aryls

Chemical Structure| 1293284-50-0

[ 1293284-50-0 ]

4-Fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid

Similarity: 0.88

Chemical Structure| 179056-04-3

[ 179056-04-3 ]

4-(2H-1,2,3-Triazol-2-yl)benzaldehyde

Similarity: 0.77

Chemical Structure| 52356-01-1

[ 52356-01-1 ]

2-Hydrazinobenzoic acid hydrochloride

Similarity: 0.75

Chemical Structure| 1186050-58-7

[ 1186050-58-7 ]

2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid

Similarity: 0.73

Chemical Structure| 179057-10-4

[ 179057-10-4 ]

Methyl 4-(1H-pyrazol-5-yl)benzoate

Similarity: 0.72

Carboxylic Acids

Chemical Structure| 1293284-50-0

[ 1293284-50-0 ]

4-Fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid

Similarity: 0.88

Chemical Structure| 677304-69-7

[ 677304-69-7 ]

1H-Indazole-7-carboxylic acid

Similarity: 0.78

Chemical Structure| 1031417-41-0

[ 1031417-41-0 ]

7-Methyl-1H-indazole-5-carboxylic acid

Similarity: 0.76

Chemical Structure| 73907-95-6

[ 73907-95-6 ]

6-Amino-1H-indazole-7-carboxylic acid

Similarity: 0.76

Chemical Structure| 52356-01-1

[ 52356-01-1 ]

2-Hydrazinobenzoic acid hydrochloride

Similarity: 0.75

Related Parent Nucleus of
[ 956317-36-5 ]

Triazoles

Chemical Structure| 179056-04-3

[ 179056-04-3 ]

4-(2H-1,2,3-Triazol-2-yl)benzaldehyde

Similarity: 0.77

Chemical Structure| 1186050-58-7

[ 1186050-58-7 ]

2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid

Similarity: 0.73

Chemical Structure| 51039-49-7

[ 51039-49-7 ]

2-Phenyl-2H-1,2,3-triazole

Similarity: 0.61

Chemical Structure| 626248-56-4

[ 626248-56-4 ]

3-(2H-1,2,3-Triazol-2-yl)aniline

Similarity: 0.60

Chemical Structure| 1368819-46-8

[ 1368819-46-8 ]

4-(5-Methyl-1H-1,2,4-triazol-1-yl)benzoic acid

Similarity: 0.57

; ;