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. 121432-12-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 121432-12-0
Chemical Structure| 121432-12-0
Structure of 121432-12-0 * 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 [ 121432-12-0 ]

Related Doc. of [ 121432-12-0 ]

Alternatived Products of [ 121432-12-0 ]
Product Citations

Product Details of [ 121432-12-0 ]

CAS No. :121432-12-0 MDL No. :MFCD00144774
Formula : C5H5NO3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :JGJDORZNOSWWDS-UHFFFAOYSA-N
M.W : 127.10 Pubchem ID :2724619
Synonyms :

Calculated chemistry of [ 121432-12-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.2
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 27.78
TPSA : 52.33 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.53
Log Po/w (XLOGP3) : 0.52
Log Po/w (WLOGP) : 0.46
Log Po/w (MLOGP) : -0.8
Log Po/w (SILICOS-IT) : 0.67
Consensus Log Po/w : 0.48

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.23
Solubility : 7.4 mg/ml ; 0.0582 mol/l
Class : Very soluble
Log S (Ali) : -1.19
Solubility : 8.21 mg/ml ; 0.0646 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.27
Solubility : 6.76 mg/ml ; 0.0532 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.05

Safety of [ 121432-12-0 ]

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 [ 121432-12-0 ]

* 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.

  • Upstream synthesis route of [ 121432-12-0 ]
  • Downstream synthetic route of [ 121432-12-0 ]

[ 121432-12-0 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 121432-12-0 ]
  • [ 127232-41-1 ]
Reference： [1] Journal of medicinal chemistry, 1998, vol. 41, # 26, p. 5265 - 5271
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 121432-12-0 ]

Esters

Chemical Structure| 118994-89-1

[ 118994-89-1 ]

Ethyl oxazole-5-carboxylate

Similarity: 0.96

Chemical Structure| 651059-70-0

[ 651059-70-0 ]

Methyl 2-methyloxazole-5-carboxylate

Similarity: 0.87

Chemical Structure| 934236-40-5

[ 934236-40-5 ]

Methyl 2-aminooxazole-5-carboxylate

Similarity: 0.82

Chemical Structure| 1257266-93-5

[ 1257266-93-5 ]

Ethyl 2-vinyloxazole-5-carboxylate

Similarity: 0.81

Chemical Structure| 934236-41-6

[ 934236-41-6 ]

Methyl 2-chlorooxazole-5-carboxylate

Similarity: 0.81

Related Parent Nucleus of
[ 121432-12-0 ]

Oxazoles

Chemical Structure| 118994-90-4

[ 118994-90-4 ]

Oxazole-5-carboxylic acid

Similarity: 0.98

Chemical Structure| 118994-89-1

[ 118994-89-1 ]

Ethyl oxazole-5-carboxylate

Similarity: 0.96

Chemical Structure| 651059-70-0

[ 651059-70-0 ]

Methyl 2-methyloxazole-5-carboxylate

Similarity: 0.87

Chemical Structure| 1216012-87-1

[ 1216012-87-1 ]

2-Methyloxazole-5-carboxylic acid

Similarity: 0.85

Chemical Structure| 934236-40-5

[ 934236-40-5 ]

Methyl 2-aminooxazole-5-carboxylate

Similarity: 0.82

; ;