3,5-Bis(methylsulfonyl)benzoic acid
TL;DR: 3,5-Bis(methylsulfonyl)benzoic acid (CAS 90536-91-7) is a chemical compound with molecular formula C9H10O6S2 and molecular weight 277.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(methylsulfonyl)benzoic acid
Also Known As: 3,5-bis(methylsulfonyl)benzoic Acid, 3,5-dimethanesulfonylbenzoic acid, 3,5-bis(methylsulphonyl)benzoic acid, 3,5-bis(methylsulfonyl)benzoicAcid, 2760AF
| Molecular Formula | C9H10O6S2 |
|---|---|
| Molecular Weight | 277.99 g/mol |
| LogP | 0.1918 |
| Topological Polar Surface Area | 105.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.99188 |
| Heavy Atoms | 17 |
| Complexity | 619.1877 |
Chemical Identifiers
| CAS Number | 90536-91-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=CC(=C1)C(=O)O)S(=O)(=O)C |
Product Overview
3,5-Bis(methylsulfonyl)benzoic acid (CAS 90536-91-7), with molecular formula C9H10O6S2 and molecular weight 277.99 g/mol. IUPAC: 3,5-bis(methylsulfonyl)benzoic acid.
Chemical Property Profile of 3,5-Bis(methylsulfonyl)benzoic acid
Property Insights of 3,5-Bis(methylsulfonyl)benzoic acid
The XLogP value of 0.1918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(methylsulfonyl)benzoic acid. The TPSA of 105.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis(methylsulfonyl)benzoic acid. Following Lipinski's Rule of Five, 3,5-Bis(methylsulfonyl)benzoic 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 3,5-Bis(methylsulfonyl)benzoic acid?
The CAS number of 3,5-Bis(methylsulfonyl)benzoic acid is 90536-91-7.
What is the molecular formula of 3,5-Bis(methylsulfonyl)benzoic acid?
The molecular formula of 3,5-Bis(methylsulfonyl)benzoic acid is C9H10O6S2.
What is the molecular weight of 3,5-Bis(methylsulfonyl)benzoic acid?
The molecular weight of 3,5-Bis(methylsulfonyl)benzoic acid is 277.99 g/mol.
Where can I buy 3,5-Bis(methylsulfonyl)benzoic acid?
You can request a quote for 3,5-Bis(methylsulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(methylsulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(methylsulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.