4-Bromo-3-chlorobenzenepropanoic acid
TL;DR: 4-Bromo-3-chlorobenzenepropanoic acid (CAS 791601-07-5) is a chemical compound with molecular formula C9H8BrClO2 and molecular weight 261.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-3-chlorophenyl)propanoic acid
Also Known As: 3-(4-bromo-3-chlorophenyl)propanoic acid, 3-(4-Bromo-3-chloro-phenyl)-propionic acid, 4-Bromo-3-chlorobenzenepropanoic acid, 3-(4-bromo-3-chloro-phenyl)propanoic Acid, 3-(4-bromo-3-chlorophenyl)propanoicacid
| Molecular Formula | C9H8BrClO2 |
|---|---|
| Molecular Weight | 261.94 g/mol |
| LogP | 3.1197 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.9396 |
| Heavy Atoms | 13 |
| Complexity | 325.39078 |
Chemical Identifiers
| CAS Number | 791601-07-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCC(=O)O)Cl)Br |
Product Overview
4-Bromo-3-chlorobenzenepropanoic acid (CAS 791601-07-5), with molecular formula C9H8BrClO2 and molecular weight 261.94 g/mol. IUPAC: 3-(4-bromo-3-chlorophenyl)propanoic acid.
Chemical Property Profile of 4-Bromo-3-chlorobenzenepropanoic acid
Property Insights of 4-Bromo-3-chlorobenzenepropanoic acid
The XLogP value of 3.1197 indicates that 4-Bromo-3-chlorobenzenepropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Bromo-3-chlorobenzenepropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-chlorobenzenepropanoic acid has 1 hydrogen bond donor(s) and 1 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 4-Bromo-3-chlorobenzenepropanoic acid?
The CAS number of 4-Bromo-3-chlorobenzenepropanoic acid is 791601-07-5.
What is the molecular formula of 4-Bromo-3-chlorobenzenepropanoic acid?
The molecular formula of 4-Bromo-3-chlorobenzenepropanoic acid is C9H8BrClO2.
What is the molecular weight of 4-Bromo-3-chlorobenzenepropanoic acid?
The molecular weight of 4-Bromo-3-chlorobenzenepropanoic acid is 261.94 g/mol.
Where can I buy 4-Bromo-3-chlorobenzenepropanoic acid?
You can request a quote for 4-Bromo-3-chlorobenzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-chlorobenzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-chlorobenzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.