Alanine, N-(4-chlorophenyl)-, methyl ester
TL;DR: Alanine, N-(4-chlorophenyl)-, methyl ester (CAS 123695-95-4) is a chemical compound with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-chloroanilino)propanoate
Also Known As: Methyl N-(4-chlorophenyl)alaninate, methyl 2-(4-chloroanilino)propanoate, methyl 2-[(4-chlorophenyl)amino]propanoate, Alanine, N-(4-chlorophenyl)-, methyl ester, methyl 2-((4-chlorophenyl)amino)propanoate
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 2.3134 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 310.40295 |
Chemical Identifiers
| CAS Number | 123695-95-4 |
|---|---|
| SMILES | CC(C(=O)OC)NC1=CC=C(C=C1)Cl |
Product Overview
Alanine, N-(4-chlorophenyl)-, methyl ester (CAS 123695-95-4), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: methyl 2-(4-chloroanilino)propanoate.
Chemical Property Profile of Alanine, N-(4-chlorophenyl)-, methyl ester
Property Insights of Alanine, N-(4-chlorophenyl)-, methyl ester
The XLogP value of 2.3134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N-(4-chlorophenyl)-, methyl ester. With a topological polar surface area (TPSA) of 38.33 Ų, Alanine, N-(4-chlorophenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alanine, N-(4-chlorophenyl)-, methyl ester has 1 hydrogen bond donor(s) and 3 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-(4-chlorophenyl)-, methyl ester?
The CAS number of Alanine, N-(4-chlorophenyl)-, methyl ester is 123695-95-4.
What is the molecular formula of Alanine, N-(4-chlorophenyl)-, methyl ester?
The molecular formula of Alanine, N-(4-chlorophenyl)-, methyl ester is C10H12ClNO2.
What is the molecular weight of Alanine, N-(4-chlorophenyl)-, methyl ester?
The molecular weight of Alanine, N-(4-chlorophenyl)-, methyl ester is 213.06 g/mol.
Where can I buy Alanine, N-(4-chlorophenyl)-, methyl ester?
You can request a quote for Alanine, N-(4-chlorophenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-(4-chlorophenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-(4-chlorophenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.