Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
TL;DR: Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate (CAS 309757-83-3) 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 (3S)-3-amino-3-(3-chlorophenyl)propanoate
Also Known As: Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate, J1.363.525K, Methyl(3S)-3-amino-3-(3-chlorophenyl)propanoate, (S)-3-Amino-3-(3-chlorophenyl)propanoic acid methyl ester, (betaS)-beta-Amino-3-chlorobenzenepropanoic acid methyl ester
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 1.9029 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 327.65295 |
Chemical Identifiers
| CAS Number | 309757-83-3 |
|---|---|
| SMILES | COC(=O)C[C@@H](C1=CC(=CC=C1)Cl)N |
Product Overview
Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate (CAS 309757-83-3), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate.
Chemical Property Profile of Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
Property Insights of Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
The XLogP value of 1.9029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate 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 (3S)-3-amino-3-(3-chlorophenyl)propanoate?
The CAS number of Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate is 309757-83-3.
What is the molecular formula of Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate?
The molecular formula of Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate is C10H12ClNO2.
What is the molecular weight of Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate?
The molecular weight of Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate is 213.06 g/mol.
Where can I buy Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate?
You can request a quote for Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3S)-3-amino-3-(3-chlorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.