3,5-Dicarboxybenzenesulfonyl fluoride
TL;DR: 3,5-Dicarboxybenzenesulfonyl fluoride (CAS 89631-75-4) is a chemical compound with molecular formula C8H5FO6S and molecular weight 247.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluorosulfonylbenzene-1,3-dicarboxylic acid
Also Known As: 5-(fluorosulfonyl)isophthalic acid, 3,5-DICARBOXYBENZENESULFONYL FLUORIDE, starbld0016501, 5-Fluorosulfonyl-Isophthalic Acid, 2,3,5-Trimethylhydroquinone
| Molecular Formula | C8H5FO6S |
|---|---|
| Molecular Weight | 247.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.97908 |
| Heavy Atoms | 16 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 89631-75-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)O)S(=O)(=O)F)C(=O)O |
| InChIKey | NVKOTYRAFOFHGL-UHFFFAOYSA-N |
Product Overview
3,5-Dicarboxybenzenesulfonyl fluoride (CAS 89631-75-4), with molecular formula C8H5FO6S and molecular weight 247.98 g/mol. IUPAC: 5-fluorosulfonylbenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 3,5-Dicarboxybenzenesulfonyl fluoride
Property Insights of 3,5-Dicarboxybenzenesulfonyl fluoride
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dicarboxybenzenesulfonyl fluoride. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dicarboxybenzenesulfonyl fluoride. Following Lipinski's Rule of Five, 3,5-Dicarboxybenzenesulfonyl fluoride has 2 hydrogen bond donor(s) and 7 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 3,5-Dicarboxybenzenesulfonyl fluoride?
The CAS number of 3,5-Dicarboxybenzenesulfonyl fluoride is 89631-75-4.
What is the molecular formula of 3,5-Dicarboxybenzenesulfonyl fluoride?
The molecular formula of 3,5-Dicarboxybenzenesulfonyl fluoride is C8H5FO6S.
What is the molecular weight of 3,5-Dicarboxybenzenesulfonyl fluoride?
The molecular weight of 3,5-Dicarboxybenzenesulfonyl fluoride is 247.98 g/mol.
Where can I buy 3,5-Dicarboxybenzenesulfonyl fluoride?
You can request a quote for 3,5-Dicarboxybenzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dicarboxybenzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dicarboxybenzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.