3-(4-(2-Chloroacetamido)phenyl)propanoic acid
TL;DR: 3-(4-(2-Chloroacetamido)phenyl)propanoic acid (CAS 500336-83-4) is a chemical compound with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-chloroacetyl)amino]phenyl]propanoic acid
Also Known As: N-chloroacetyl-4-aminophenylpropionic acid, 3-(4-(2-Chloroacetamido)phenyl)propanoic acid, 3-[4-(2-chloroacetamido)phenyl]propanoic acid, 3-[4-[(2-chloroacetyl)amino]phenyl]propanoic acid, 3-(4-(2-Chloroacetamido)phenyl)propanoicacid
| Molecular Formula | C11H12ClNO3 |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.05057 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 500336-83-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)O)NC(=O)CCl |
| InChIKey | XGCWDCPQUACWJF-UHFFFAOYSA-N |
Product Overview
3-(4-(2-Chloroacetamido)phenyl)propanoic acid (CAS 500336-83-4), with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol. IUPAC: 3-[4-[(2-chloroacetyl)amino]phenyl]propanoic acid.
Chemical Property Profile of 3-(4-(2-Chloroacetamido)phenyl)propanoic acid
Property Insights of 3-(4-(2-Chloroacetamido)phenyl)propanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(2-Chloroacetamido)phenyl)propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(2-Chloroacetamido)phenyl)propanoic acid. Following Lipinski's Rule of Five, 3-(4-(2-Chloroacetamido)phenyl)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-(4-(2-Chloroacetamido)phenyl)propanoic acid?
The CAS number of 3-(4-(2-Chloroacetamido)phenyl)propanoic acid is 500336-83-4.
What is the molecular formula of 3-(4-(2-Chloroacetamido)phenyl)propanoic acid?
The molecular formula of 3-(4-(2-Chloroacetamido)phenyl)propanoic acid is C11H12ClNO3.
What is the molecular weight of 3-(4-(2-Chloroacetamido)phenyl)propanoic acid?
The molecular weight of 3-(4-(2-Chloroacetamido)phenyl)propanoic acid is 241.05 g/mol.
Where can I buy 3-(4-(2-Chloroacetamido)phenyl)propanoic acid?
You can request a quote for 3-(4-(2-Chloroacetamido)phenyl)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-(2-Chloroacetamido)phenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(2-Chloroacetamido)phenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.