beta-Bromobenzenepropanoic acid
TL;DR: beta-Bromobenzenepropanoic acid (CAS 19062-51-2) 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-bromo-3-phenylpropanoic acid
Also Known As: 3-Bromo-3-phenylpropanoic acid, 4-chlorophthalimide, b-bromobenzenepropanoic acid, beta-Bromohydrocinnamic acid, 3-Bromo-3-phenylpropionic acid
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.6 |
| 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 | 153.0 |
Chemical Identifiers
| CAS Number | 19062-51-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)Br |
| InChIKey | JQRMHJWFYKSDNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Bromobenzenepropanoic acid (CAS 19062-51-2), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: 3-bromo-3-phenylpropanoic acid.
Chemical Property Profile of beta-Bromobenzenepropanoic acid
Property Insights of beta-Bromobenzenepropanoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Bromobenzenepropanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, beta-Bromobenzenepropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Bromobenzenepropanoic 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 beta-Bromobenzenepropanoic acid?
The CAS number of beta-Bromobenzenepropanoic acid is 19062-51-2.
What is the molecular formula of beta-Bromobenzenepropanoic acid?
The molecular formula of beta-Bromobenzenepropanoic acid is C9H9BrO2.
What is the molecular weight of beta-Bromobenzenepropanoic acid?
The molecular weight of beta-Bromobenzenepropanoic acid is 227.98 g/mol.
Where can I buy beta-Bromobenzenepropanoic acid?
You can request a quote for beta-Bromobenzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Bromobenzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-Bromobenzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.