3-(2-Bromophenyl)propionic acid
TL;DR: 3-(2-Bromophenyl)propionic acid (CAS 657-05-6) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromophenyl)propanoic acid
Also Known As: 3-(2-Bromophenyl)propionic acid, 3-(2-bromophenyl)propanoic acid, null, BENZENEPROPANOIC ACID, 2-BROMO-, 3-(2-Bromophenyl)propionicacid
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 657-05-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCC(=O)O)Br |
| InChIKey | AOACQJFIGWNQBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Bromophenyl)propionic acid (CAS 657-05-6), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: 3-(2-bromophenyl)propanoic acid.
Chemical Property Profile of 3-(2-Bromophenyl)propionic acid
Property Insights of 3-(2-Bromophenyl)propionic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Bromophenyl)propionic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2-Bromophenyl)propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Bromophenyl)propionic acid has 1 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-(2-Bromophenyl)propionic acid?
The CAS number of 3-(2-Bromophenyl)propionic acid is 657-05-6.
What is the molecular formula of 3-(2-Bromophenyl)propionic acid?
The molecular formula of 3-(2-Bromophenyl)propionic acid is C9H9BrO2.
What is the molecular weight of 3-(2-Bromophenyl)propionic acid?
The molecular weight of 3-(2-Bromophenyl)propionic acid is 227.98 g/mol.
Where can I buy 3-(2-Bromophenyl)propionic acid?
You can request a quote for 3-(2-Bromophenyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Bromophenyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Bromophenyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.