(s)-3-Amino-3-(3-chlorophenyl)propanoic acid
TL;DR: (s)-3-Amino-3-(3-chlorophenyl)propanoic acid (CAS 68444-04-2) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-amino-3-(3-chlorophenyl)propanoic acid
Also Known As: (s)-3-amino-3-(3-chlorophenyl)propanoic acid, (3s)-3-amino-3-(3-chlorophenyl)propanoic acid, (S)-beta-(3-Chlorophenyl)alanine, H-, A-Phe(3-Cl)-OH
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 68444-04-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)[C@H](CC(=O)O)N |
| InChIKey | LIDRHPCWOYOBIZ-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(s)-3-Amino-3-(3-chlorophenyl)propanoic acid (CAS 68444-04-2), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: (3S)-3-amino-3-(3-chlorophenyl)propanoic acid.
Chemical Property Profile of (s)-3-Amino-3-(3-chlorophenyl)propanoic acid
Property Insights of (s)-3-Amino-3-(3-chlorophenyl)propanoic acid
The XLogP value of -1.3 indicates that (s)-3-Amino-3-(3-chlorophenyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (s)-3-Amino-3-(3-chlorophenyl)propanoic acid. Following Lipinski's Rule of Five, (s)-3-Amino-3-(3-chlorophenyl)propanoic acid has 2 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 (s)-3-Amino-3-(3-chlorophenyl)propanoic acid?
The CAS number of (s)-3-Amino-3-(3-chlorophenyl)propanoic acid is 68444-04-2.
What is the molecular formula of (s)-3-Amino-3-(3-chlorophenyl)propanoic acid?
The molecular formula of (s)-3-Amino-3-(3-chlorophenyl)propanoic acid is C9H10ClNO2.
What is the molecular weight of (s)-3-Amino-3-(3-chlorophenyl)propanoic acid?
The molecular weight of (s)-3-Amino-3-(3-chlorophenyl)propanoic acid is 199.04 g/mol.
Where can I buy (s)-3-Amino-3-(3-chlorophenyl)propanoic acid?
You can request a quote for (s)-3-Amino-3-(3-chlorophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (s)-3-Amino-3-(3-chlorophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (s)-3-Amino-3-(3-chlorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.