3-(3-Bromo-4-fluorophenyl)-2-propenoic acid
TL;DR: 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid (CAS 370867-85-9) is a chemical compound with molecular formula C9H6BrFO2 and molecular weight 243.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-4-fluorophenyl)prop-2-enoic acid
Also Known As: 3-Bromo-4-fluorocinnamic acid, zlchem 535, Intermediates-ZCF02208, 3-Bromo-4-fluorocinnamicacid, 2-Propenoic acid, 3-(3-bromo-4-fluorophenyl)-
| Molecular Formula | C9H6BrFO2 |
|---|---|
| Molecular Weight | 243.95 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.95352 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 370867-85-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)O)Br)F |
| InChIKey | ZNIGVADAKXOMQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Bromo-4-fluorophenyl)-2-propenoic acid (CAS 370867-85-9), with molecular formula C9H6BrFO2 and molecular weight 243.95 g/mol. IUPAC: 3-(3-bromo-4-fluorophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid
Property Insights of 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid has 1 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-(3-Bromo-4-fluorophenyl)-2-propenoic acid?
The CAS number of 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid is 370867-85-9.
What is the molecular formula of 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid?
The molecular formula of 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid is C9H6BrFO2.
What is the molecular weight of 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid?
The molecular weight of 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid is 243.95 g/mol.
Where can I buy 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid?
You can request a quote for 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.