4-Fluoro-2,6-dimethylbenzoic acid
TL;DR: 4-Fluoro-2,6-dimethylbenzoic acid (CAS 16633-50-4) is a chemical compound with molecular formula C9H9FO2 and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-2,6-dimethylbenzoic acid
Also Known As: 2,6-DIMETHYL-4-FLUOROBENZOIC ACID, 4-fluoro-2,6-dimethylbenzoic acid, Intermediates-ZCF02248, 2,6-dimethyl-4-fluorobenzoicacid, Benzoic acid, 4-fluoro-2,6-dimethyl-
| Molecular Formula | C9H9FO2 |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 2.14074 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.05865 |
| Heavy Atoms | 12 |
| Complexity | 308.29556 |
Chemical Identifiers
| CAS Number | 16633-50-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O)C)F |
Product Overview
4-Fluoro-2,6-dimethylbenzoic acid (CAS 16633-50-4), with molecular formula C9H9FO2 and molecular weight 168.06 g/mol. IUPAC: 4-fluoro-2,6-dimethylbenzoic acid.
Chemical Property Profile of 4-Fluoro-2,6-dimethylbenzoic acid
Property Insights of 4-Fluoro-2,6-dimethylbenzoic acid
The XLogP value of 2.14074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-2,6-dimethylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Fluoro-2,6-dimethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-2,6-dimethylbenzoic 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 4-Fluoro-2,6-dimethylbenzoic acid?
The CAS number of 4-Fluoro-2,6-dimethylbenzoic acid is 16633-50-4.
What is the molecular formula of 4-Fluoro-2,6-dimethylbenzoic acid?
The molecular formula of 4-Fluoro-2,6-dimethylbenzoic acid is C9H9FO2.
What is the molecular weight of 4-Fluoro-2,6-dimethylbenzoic acid?
The molecular weight of 4-Fluoro-2,6-dimethylbenzoic acid is 168.06 g/mol.
Where can I buy 4-Fluoro-2,6-dimethylbenzoic acid?
You can request a quote for 4-Fluoro-2,6-dimethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-2,6-dimethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-2,6-dimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.