3,4-Difluorohydrocinnamic acid
TL;DR: 3,4-Difluorohydrocinnamic acid (CAS 161712-75-0) is a chemical compound with molecular formula C9H8F2O2 and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-difluorophenyl)propanoic acid
Also Known As: 3,4-Difluorohydrocinnamic acid, 3-(3,4-difluorophenyl)propanoic Acid, Benzenepropanoic acid, 3,4-difluoro-, 3-(3,4-Difluorophenyl)propionic acid, Benzenepropanoicacid,3,4-difluoro
| Molecular Formula | C9H8F2O2 |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 1.982 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.04924 |
| Heavy Atoms | 13 |
| Complexity | 323.39078 |
Chemical Identifiers
| CAS Number | 161712-75-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCC(=O)O)F)F |
Product Overview
3,4-Difluorohydrocinnamic acid (CAS 161712-75-0), with molecular formula C9H8F2O2 and molecular weight 186.05 g/mol. IUPAC: 3-(3,4-difluorophenyl)propanoic acid.
Chemical Property Profile of 3,4-Difluorohydrocinnamic acid
Property Insights of 3,4-Difluorohydrocinnamic acid
The XLogP value of 1.982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Difluorohydrocinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3,4-Difluorohydrocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Difluorohydrocinnamic 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-Difluorohydrocinnamic acid?
The CAS number of 3,4-Difluorohydrocinnamic acid is 161712-75-0.
What is the molecular formula of 3,4-Difluorohydrocinnamic acid?
The molecular formula of 3,4-Difluorohydrocinnamic acid is C9H8F2O2.
What is the molecular weight of 3,4-Difluorohydrocinnamic acid?
The molecular weight of 3,4-Difluorohydrocinnamic acid is 186.05 g/mol.
Where can I buy 3,4-Difluorohydrocinnamic acid?
You can request a quote for 3,4-Difluorohydrocinnamic 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-Difluorohydrocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Difluorohydrocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.