2,6-Difluoro-3-methylbenzoic acid
TL;DR: 2,6-Difluoro-3-methylbenzoic acid (CAS 175276-90-1) is a chemical compound with molecular formula C8H6F2O2 and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-difluoro-3-methylbenzoic acid
Also Known As: 2,6-Difluoro-3-methylbenzoic acid, 2,6-Difluoro-m-toluic acid, 2,6-Difluoro-3-methylbenzoicacid, 2,6-difluoro-3-methyl-benzoic Acid, 3-Carboxy-2,4-difluorotoluene
| Molecular Formula | C8H6F2O2 |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 1.97142 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.03358 |
| Heavy Atoms | 12 |
| Complexity | 334.0749 |
Chemical Identifiers
| CAS Number | 175276-90-1 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)F)C(=O)O)F |
Product Overview
2,6-Difluoro-3-methylbenzoic acid (CAS 175276-90-1), with molecular formula C8H6F2O2 and molecular weight 172.03 g/mol. IUPAC: 2,6-difluoro-3-methylbenzoic acid.
Chemical Property Profile of 2,6-Difluoro-3-methylbenzoic acid
Property Insights of 2,6-Difluoro-3-methylbenzoic acid
The XLogP value of 1.97142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Difluoro-3-methylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,6-Difluoro-3-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Difluoro-3-methylbenzoic 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 2,6-Difluoro-3-methylbenzoic acid?
The CAS number of 2,6-Difluoro-3-methylbenzoic acid is 175276-90-1.
What is the molecular formula of 2,6-Difluoro-3-methylbenzoic acid?
The molecular formula of 2,6-Difluoro-3-methylbenzoic acid is C8H6F2O2.
What is the molecular weight of 2,6-Difluoro-3-methylbenzoic acid?
The molecular weight of 2,6-Difluoro-3-methylbenzoic acid is 172.03 g/mol.
Where can I buy 2,6-Difluoro-3-methylbenzoic acid?
You can request a quote for 2,6-Difluoro-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Difluoro-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Difluoro-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.