2-(Tert-butylsulfonyl)benzoic acid
TL;DR: 2-(Tert-butylsulfonyl)benzoic acid (CAS 5293-55-0) is a chemical compound with molecular formula C11H14O4S and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylsulfonylbenzoic acid
Also Known As: 2-(tert-butylsulfonyl)benzoic acid, 2-tert-butylsulfonylbenzoic acid, 2-tert-Butylsulfonyl-benzoic acid, BAS 00529572, 2-(2-Methyl-propane-2-sulfonyl)-benzoic acid
| Molecular Formula | C11H14O4S |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.06128 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 5293-55-0 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | DMVRWIFNWLXYIP-UHFFFAOYSA-N |
Product Overview
2-(Tert-butylsulfonyl)benzoic acid (CAS 5293-55-0), with molecular formula C11H14O4S and molecular weight 242.06 g/mol. IUPAC: 2-tert-butylsulfonylbenzoic acid.
Chemical Property Profile of 2-(Tert-butylsulfonyl)benzoic acid
Property Insights of 2-(Tert-butylsulfonyl)benzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Tert-butylsulfonyl)benzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Tert-butylsulfonyl)benzoic acid. Following Lipinski's Rule of Five, 2-(Tert-butylsulfonyl)benzoic acid has 1 hydrogen bond donor(s) and 4 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-(Tert-butylsulfonyl)benzoic acid?
The CAS number of 2-(Tert-butylsulfonyl)benzoic acid is 5293-55-0.
What is the molecular formula of 2-(Tert-butylsulfonyl)benzoic acid?
The molecular formula of 2-(Tert-butylsulfonyl)benzoic acid is C11H14O4S.
What is the molecular weight of 2-(Tert-butylsulfonyl)benzoic acid?
The molecular weight of 2-(Tert-butylsulfonyl)benzoic acid is 242.06 g/mol.
Where can I buy 2-(Tert-butylsulfonyl)benzoic acid?
You can request a quote for 2-(Tert-butylsulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butylsulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butylsulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.