5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid
TL;DR: 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid (CAS 33866-07-8) is a chemical compound with molecular formula C9H9FO4S and molecular weight 232.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluorosulfonyl-2,4-dimethylbenzoic acid
Also Known As: 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid, 5-fluorosulfonyl-2,4-dimethylbenzoic acid, 5-(Fluorosulfonyl)-2,4-dimethylbenzoicacid, 5-fluorosulfonyl-2,4-dimethyl-benzoic acid
| Molecular Formula | C9H9FO4S |
|---|---|
| Molecular Weight | 232.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.02055 |
| Heavy Atoms | 15 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 33866-07-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)F)C |
| InChIKey | IOCQBSNJNVCVCU-UHFFFAOYSA-N |
Product Overview
5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid (CAS 33866-07-8), with molecular formula C9H9FO4S and molecular weight 232.02 g/mol. IUPAC: 5-fluorosulfonyl-2,4-dimethylbenzoic acid.
Chemical Property Profile of 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid
Property Insights of 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid. Following Lipinski's Rule of Five, 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid has 1 hydrogen bond donor(s) and 5 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 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid?
The CAS number of 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid is 33866-07-8.
What is the molecular formula of 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid?
The molecular formula of 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid is C9H9FO4S.
What is the molecular weight of 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid?
The molecular weight of 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid is 232.02 g/mol.
Where can I buy 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid?
You can request a quote for 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.