3-Amino-3-(2-chlorophenyl)propanoic acid
TL;DR: 3-Amino-3-(2-chlorophenyl)propanoic acid (CAS 79416-52-7) 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.
3-amino-3-(2-chlorophenyl)propanoic acid
Also Known As: 3-amino-3-(2-chlorophenyl)propanoic acid, 3-Amino-3-(2-chloro-phenyl)-propionic acid, 3-Amino-3-(2-chlorophenyl)propionic acid, 3-(2-chlorophenyl)-DL-beta-alanine, DL-beta-(2-chlorophenyl)alanine
| 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 | 79416-52-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(CC(=O)O)N)Cl |
| InChIKey | NXXFYRJVRISCCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-3-(2-chlorophenyl)propanoic acid (CAS 79416-52-7), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: 3-amino-3-(2-chlorophenyl)propanoic acid.
Chemical Property Profile of 3-Amino-3-(2-chlorophenyl)propanoic acid
Property Insights of 3-Amino-3-(2-chlorophenyl)propanoic acid
The XLogP value of -1.3 indicates that 3-Amino-3-(2-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 3-Amino-3-(2-chlorophenyl)propanoic acid. Following Lipinski's Rule of Five, 3-Amino-3-(2-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 3-Amino-3-(2-chlorophenyl)propanoic acid?
The CAS number of 3-Amino-3-(2-chlorophenyl)propanoic acid is 79416-52-7.
What is the molecular formula of 3-Amino-3-(2-chlorophenyl)propanoic acid?
The molecular formula of 3-Amino-3-(2-chlorophenyl)propanoic acid is C9H10ClNO2.
What is the molecular weight of 3-Amino-3-(2-chlorophenyl)propanoic acid?
The molecular weight of 3-Amino-3-(2-chlorophenyl)propanoic acid is 199.04 g/mol.
Where can I buy 3-Amino-3-(2-chlorophenyl)propanoic acid?
You can request a quote for 3-Amino-3-(2-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 3-Amino-3-(2-chlorophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-(2-chlorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.