3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid
TL;DR: 3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid (CAS 790681-97-9) is a chemical compound with molecular formula C9H6BrClO2 and molecular weight 259.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-3-chlorophenyl)prop-2-enoic acid
Also Known As: 3-(4-bromo-3-chlorophenyl)prop-2-enoic acid, 3-(4-Bromo-3-chlorophenyl)acrylic acid, 3-(4-bromo-3-chloro-phenyl)prop-2-enoic Acid, (2E)-3-(4-bromo-3-chlorophenyl)acrylic acid, 3-(4-Bromo-3-chlorophenyl)-2-propenoic acid
| Molecular Formula | C9H6BrClO2 |
|---|---|
| Molecular Weight | 259.92 g/mol |
| LogP | 3.2003 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.92398 |
| Heavy Atoms | 13 |
| Complexity | 360.6324 |
Chemical Identifiers
| CAS Number | 790681-97-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)O)Cl)Br |
Product Overview
3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid (CAS 790681-97-9), with molecular formula C9H6BrClO2 and molecular weight 259.92 g/mol. IUPAC: 3-(4-bromo-3-chlorophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid
Property Insights of 3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid
The XLogP value of 3.2003 indicates that 3-(4-Bromo-3-chlorophenyl)prop-2-enoic 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, 3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromo-3-chlorophenyl)prop-2-enoic 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 3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid?
The CAS number of 3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid is 790681-97-9.
What is the molecular formula of 3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid?
The molecular formula of 3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid is C9H6BrClO2.
What is the molecular weight of 3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid?
The molecular weight of 3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid is 259.92 g/mol.
Where can I buy 3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid?
You can request a quote for 3-(4-Bromo-3-chlorophenyl)prop-2-enoic 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-Bromo-3-chlorophenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromo-3-chlorophenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.