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. 69555-14-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 69555-14-2
Chemical Structure| 69555-14-2
Structure of 69555-14-2 * 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 [ 69555-14-2 ]

Related Doc. of [ 69555-14-2 ]

Alternatived Products of [ 69555-14-2 ]
Product Citations

Product Details of [ 69555-14-2 ]

CAS No. :69555-14-2 MDL No. :MFCD00010590
Formula : C17H17NO2 Boiling Point : No data available
Linear Structure Formula :(C6H5)2CNCH2C(O)OC2H5 InChI Key :QUGJYNGNUBHTNS-UHFFFAOYSA-N
M.W : 267.32 Pubchem ID :319508
Synonyms :

Calculated chemistry of [ 69555-14-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.18
Num. rotatable bonds : 6
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 80.09
TPSA : 38.66 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.21 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.66
Log Po/w (XLOGP3) : 3.83
Log Po/w (WLOGP) : 3.09
Log Po/w (MLOGP) : 2.94
Log Po/w (SILICOS-IT) : 4.24
Consensus Log Po/w : 3.35

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.96
Solubility : 0.0294 mg/ml ; 0.00011 mol/l
Class : Soluble
Log S (Ali) : -4.34
Solubility : 0.0123 mg/ml ; 0.000046 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.89
Solubility : 0.00034 mg/ml ; 0.00000127 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.79

Safety of [ 69555-14-2 ]

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

Application In Synthesis of [ 69555-14-2 ]

* 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 [ 69555-14-2 ]

[ 69555-14-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 101990-45-8 ]
  • [ 69555-14-2 ]
  • 2-[(N-diphenylmethylene)amino]-3-(4-bromo-3-pyridinyl) propanoic acid, ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
With diisopropylamine; Step B 2-[(N-Diphenylmethylene)amino]-3-(4-bromo-3-pyridinyl) propanoic acid, ethyl ester To a solution of N-(diphenylmethylene)glycine ethyl ester (4.30 g, 16.11 mmol) in TEE (25 mL) at -78 C. was added dropwise a 2.0M solution of LDA in TEE (8.0 mL, 16.0 mmol). After being stirred for 30 min at -78 C., a solution of 2-bromo-5-bromomethyl-pyridine in 10 mL of TEE was added and the reaction allowed to warm to rt. After 1 h, the reaction was diluted with EtOAc (50 mL) and washed with water (50 mL) and saturated aqueous NaCl (50 mL). The organic layer was dried over anhydrous MgSO4 and concentrated in vacuo to give a yellow oil. The oil was purified by flash column chromatography on silica gel eluted with hexane/EtOAc (10:1) to yield 2-[(N-diphenylmethylene)amino]-3-(4-bromo-3-pyridinyl) propanoic acid, ethyl ester as a pale yellow oil.
  • 2
  • [ 19745-07-4 ]
  • [ 69555-14-2 ]
  • ethyl 2-(5-chloropyrazin-2-yl)-2-((diphenylmethylene)amino)acetate [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 69555-14-2 ]

Amino Acid Derivatives

Chemical Structure| 81167-39-7

[ 81167-39-7 ]

Methyl 2-((diphenylmethylene)amino)acetate

Similarity: 0.96

Chemical Structure| 81477-91-0

[ 81477-91-0 ]

Diphenylmethylene-glycine benzyl ester

Similarity: 0.90

Chemical Structure| 90940-54-8

[ 90940-54-8 ]

D-Homophenylalanine ethyl ester hydrochloride

Similarity: 0.59

Chemical Structure| 90891-21-7

[ 90891-21-7 ]

H-HoPhe-OEt.HCl

Similarity: 0.59

Chemical Structure| 19881-53-9

[ 19881-53-9 ]

H-DL-Phe-OEt.HCl

Similarity: 0.58

; ;