3-((4-Chlorobenzyl)amino)propanoic acid
TL;DR: 3-((4-Chlorobenzyl)amino)propanoic acid (CAS 227331-63-7) 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.
3-[(4-chlorophenyl)methylamino]propanoic acid
Also Known As: 3-((4-Chlorobenzyl)amino)propanoic acid, N-(4-chlorobenzyl)-beta-alanine, 3-{[(4-chlorophenyl)methyl]amino}propanoic acid, 3-(4-Chlorobenzylamino)propanoic acid, 3-[(4-chlorophenyl)methylamino]propanoic Acid
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 1.9043 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 297.49524 |
Chemical Identifiers
| CAS Number | 227331-63-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CNCCC(=O)O)Cl |
Product Overview
3-((4-Chlorobenzyl)amino)propanoic acid (CAS 227331-63-7), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: 3-[(4-chlorophenyl)methylamino]propanoic acid.
Chemical Property Profile of 3-((4-Chlorobenzyl)amino)propanoic acid
Property Insights of 3-((4-Chlorobenzyl)amino)propanoic acid
The XLogP value of 1.9043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Chlorobenzyl)amino)propanoic acid. With a topological polar surface area (TPSA) of 49.33 Ų, 3-((4-Chlorobenzyl)amino)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-Chlorobenzyl)amino)propanoic acid has 2 hydrogen bond donor(s) and 2 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-((4-Chlorobenzyl)amino)propanoic acid?
The CAS number of 3-((4-Chlorobenzyl)amino)propanoic acid is 227331-63-7.
What is the molecular formula of 3-((4-Chlorobenzyl)amino)propanoic acid?
The molecular formula of 3-((4-Chlorobenzyl)amino)propanoic acid is C10H12ClNO2.
What is the molecular weight of 3-((4-Chlorobenzyl)amino)propanoic acid?
The molecular weight of 3-((4-Chlorobenzyl)amino)propanoic acid is 213.06 g/mol.
Where can I buy 3-((4-Chlorobenzyl)amino)propanoic acid?
You can request a quote for 3-((4-Chlorobenzyl)amino)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-((4-Chlorobenzyl)amino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Chlorobenzyl)amino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.