3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid
TL;DR: 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid (CAS 21322-94-1) is a chemical compound with molecular formula C10H11FO4S and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluorosulfonyl-4-propan-2-ylbenzoic acid
Also Known As: 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid, 3-fluorosulfonyl-4-propan-2-ylbenzoic acid, Benzoic acid, 3-(fluorosulfonyl)-4-(1-methylethyl)-, 3-(FLUOROSULFONYL)-4-(1-METHYLETHYL)-BENZOIC ACID, 3-(FLUOROSULFONYL)-4-(1-METHYLETHYL)-BENZOICACID
| Molecular Formula | C10H11FO4S |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.03621 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 21322-94-1 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)C(=O)O)S(=O)(=O)F |
| InChIKey | SXGLQQOTTKYVKM-UHFFFAOYSA-N |
Product Overview
3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid (CAS 21322-94-1), with molecular formula C10H11FO4S and molecular weight 246.04 g/mol. IUPAC: 3-fluorosulfonyl-4-propan-2-ylbenzoic acid.
Chemical Property Profile of 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid
Property Insights of 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(Fluorosulfonyl)-4-(propan-2-yl)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-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid?
The CAS number of 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid is 21322-94-1.
What is the molecular formula of 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid?
The molecular formula of 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid is C10H11FO4S.
What is the molecular weight of 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid?
The molecular weight of 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid is 246.04 g/mol.
Where can I buy 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid?
You can request a quote for 3-(Fluorosulfonyl)-4-(propan-2-yl)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-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.