3-(Difluoromethoxy)benzoic acid
TL;DR: 3-(Difluoromethoxy)benzoic acid (CAS 4837-19-8) is a chemical compound with molecular formula C8H6F2O3 and molecular weight 188.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(difluoromethoxy)benzoic acid
Also Known As: 3-(Difluoromethoxy)benzoic acid, Benzoic acid, 3-(difluoromethoxy)-, 3-(Difluoromethoxy)benzoicacid, 3-difluoromethoxy benzoic acid, 3-Difluoromethoxy-benzoic acid
| Molecular Formula | C8H6F2O3 |
|---|---|
| Molecular Weight | 188.03 g/mol |
| LogP | 1.9862 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.0285 |
| Heavy Atoms | 13 |
| Complexity | 312.0124 |
Chemical Identifiers
| CAS Number | 4837-19-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)F)C(=O)O |
Product Overview
3-(Difluoromethoxy)benzoic acid (CAS 4837-19-8), with molecular formula C8H6F2O3 and molecular weight 188.03 g/mol. IUPAC: 3-(difluoromethoxy)benzoic acid.
Chemical Property Profile of 3-(Difluoromethoxy)benzoic acid
Property Insights of 3-(Difluoromethoxy)benzoic acid
The XLogP value of 1.9862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Difluoromethoxy)benzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-(Difluoromethoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Difluoromethoxy)benzoic 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 3-(Difluoromethoxy)benzoic acid?
The CAS number of 3-(Difluoromethoxy)benzoic acid is 4837-19-8.
What is the molecular formula of 3-(Difluoromethoxy)benzoic acid?
The molecular formula of 3-(Difluoromethoxy)benzoic acid is C8H6F2O3.
What is the molecular weight of 3-(Difluoromethoxy)benzoic acid?
The molecular weight of 3-(Difluoromethoxy)benzoic acid is 188.03 g/mol.
Where can I buy 3-(Difluoromethoxy)benzoic acid?
You can request a quote for 3-(Difluoromethoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Difluoromethoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Difluoromethoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.