4-(Butane-1-sulfonyl)benzoic acid
TL;DR: 4-(Butane-1-sulfonyl)benzoic acid (CAS 100059-51-6) is a chemical compound with molecular formula C11H14O4S and molecular weight 242.06128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-butylsulfonylbenzoic acid
Also Known As: 4-(butane-1-sulfonyl)benzoic acid, 4-butylsulfonylbenzoic Acid, Benzoic acid, 4-(butylsulfonyl)-, 4-(butylsulfonyl)benzoic acid, 4-[Butylsulfonyl]benzoic acid
Technical Specifications
| Molecular Formula | C11H14O4S |
| Molecular Weight | 242.06128 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.06128 Da |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
| SMILES | CCCCS(=O)(=O)C1=CC=C(C=C1)C(=O)O |
| InChIKey | ZBKOZGCANJUKEY-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Butane-1-sulfonyl)benzoic acid
Property Insights of 4-(Butane-1-sulfonyl)benzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Butane-1-sulfonyl)benzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Butane-1-sulfonyl)benzoic acid. Following Lipinski's Rule of Five, 4-(Butane-1-sulfonyl)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
What is the CAS number of 4-(Butane-1-sulfonyl)benzoic acid?
The CAS number of 4-(Butane-1-sulfonyl)benzoic acid is 100059-51-6.
What is the molecular formula of 4-(Butane-1-sulfonyl)benzoic acid?
The molecular formula of 4-(Butane-1-sulfonyl)benzoic acid is C11H14O4S.
What is the molecular weight of 4-(Butane-1-sulfonyl)benzoic acid?
The molecular weight of 4-(Butane-1-sulfonyl)benzoic acid is 242.06128 g/mol.
Where can I buy 4-(Butane-1-sulfonyl)benzoic acid?
You can request a quote for 4-(Butane-1-sulfonyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Butane-1-sulfonyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Butane-1-sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.