Methyl 4-amino-3-(4-chlorophenyl)butanoate
TL;DR: Methyl 4-amino-3-(4-chlorophenyl)butanoate (CAS 446053-47-0) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-3-(4-chlorophenyl)butanoate
Also Known As: methyl 4-amino-3-(4-chlorophenyl)butanoate, Baclofen Impurity 40, 4-Amino-3-(4-chloro-phenyl)-butyric acid methyl ester, 4-Amino-3-(4-chloro-phenyl)-butyricacidmethylester, benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, methyl ester, hydrochloride
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 1.9454 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 323.86475 |
Chemical Identifiers
| CAS Number | 446053-47-0 |
|---|---|
| SMILES | COC(=O)CC(CN)C1=CC=C(C=C1)Cl |
Product Overview
Methyl 4-amino-3-(4-chlorophenyl)butanoate (CAS 446053-47-0), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: methyl 4-amino-3-(4-chlorophenyl)butanoate.
Chemical Property Profile of Methyl 4-amino-3-(4-chlorophenyl)butanoate
Property Insights of Methyl 4-amino-3-(4-chlorophenyl)butanoate
The XLogP value of 1.9454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-3-(4-chlorophenyl)butanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 4-amino-3-(4-chlorophenyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-amino-3-(4-chlorophenyl)butanoate 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 Methyl 4-amino-3-(4-chlorophenyl)butanoate?
The CAS number of Methyl 4-amino-3-(4-chlorophenyl)butanoate is 446053-47-0.
What is the molecular formula of Methyl 4-amino-3-(4-chlorophenyl)butanoate?
The molecular formula of Methyl 4-amino-3-(4-chlorophenyl)butanoate is C11H14ClNO2.
What is the molecular weight of Methyl 4-amino-3-(4-chlorophenyl)butanoate?
The molecular weight of Methyl 4-amino-3-(4-chlorophenyl)butanoate is 227.07 g/mol.
Where can I buy Methyl 4-amino-3-(4-chlorophenyl)butanoate?
You can request a quote for Methyl 4-amino-3-(4-chlorophenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-3-(4-chlorophenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-3-(4-chlorophenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.