3-(3,5-Difluorophenyl)acrylic acid
TL;DR: 3-(3,5-Difluorophenyl)acrylic acid (CAS 98130-56-4) is a chemical compound with molecular formula C9H6F2O2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-difluorophenyl)prop-2-enoic acid
Also Known As: 3,5-Difluorocinnamic acid, trans-3,5-Difluorocinnamic acid, 3-(3,5-Difluorophenyl)acrylic acid, 3,5-Difluorocinnamicacid, 3-(3,5-difluorophenyl)prop-2-enoic acid
| Molecular Formula | C9H6F2O2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.03358 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 98130-56-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1F)F)C=CC(=O)O |
| InChIKey | MBAWRXICVNIUGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,5-Difluorophenyl)acrylic acid (CAS 98130-56-4), with molecular formula C9H6F2O2 and molecular weight 184.03 g/mol. IUPAC: 3-(3,5-difluorophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(3,5-Difluorophenyl)acrylic acid
Property Insights of 3-(3,5-Difluorophenyl)acrylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,5-Difluorophenyl)acrylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(3,5-Difluorophenyl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Difluorophenyl)acrylic acid has 1 hydrogen bond donor(s) and 4 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-(3,5-Difluorophenyl)acrylic acid?
The CAS number of 3-(3,5-Difluorophenyl)acrylic acid is 98130-56-4.
What is the molecular formula of 3-(3,5-Difluorophenyl)acrylic acid?
The molecular formula of 3-(3,5-Difluorophenyl)acrylic acid is C9H6F2O2.
What is the molecular weight of 3-(3,5-Difluorophenyl)acrylic acid?
The molecular weight of 3-(3,5-Difluorophenyl)acrylic acid is 184.03 g/mol.
Where can I buy 3-(3,5-Difluorophenyl)acrylic acid?
You can request a quote for 3-(3,5-Difluorophenyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-Difluorophenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Difluorophenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.