Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-
TL;DR: Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L- (CAS 64187-45-7) is a chemical compound with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl (2S)-2-benzamido-3-phenylpropanoate
Also Known As: L-N-Benzoyl-3-phenylalanine cyanomethyl ester, N-Benzoyl-L-phenylalaninecyanomethylester, Cyanomethyl N-benzoyl-L-phenylalaninate, N-Benzoyl-L-phenylalanine cyanomethyl ester, ALANINE, N-BENZOYL-3-PHENYL-, CYANOMETHYL ESTER, L-
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 64187-45-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)OCC#N)NC(=O)C2=CC=CC=C2 |
| InChIKey | JIQFQYPZHNSZDA-INIZCTEOSA-N |
Product Overview
Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L- (CAS 64187-45-7), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: cyanomethyl (2S)-2-benzamido-3-phenylpropanoate.
Chemical Property Profile of Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-
Property Insights of Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-. Following Lipinski's Rule of Five, Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-?
The CAS number of Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L- is 64187-45-7.
What is the molecular formula of Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-?
The molecular formula of Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L- is C18H16N2O3.
What is the molecular weight of Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-?
The molecular weight of Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L- is 308.12 g/mol.
Where can I buy Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-?
You can request a quote for Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.