Benzoic acid, p-(pentylsulfonyl)-
TL;DR: Benzoic acid, p-(pentylsulfonyl)- (CAS 32910-75-1) is a chemical compound with molecular formula C12H16O4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pentylsulfonylbenzoic acid
Also Known As: 4-pentylsulfonylbenzoic Acid, Benzoic acid, p-(pentylsulfonyl)-, 4-(pentylsulfonyl)Benzoic acid, 4-(Pentane-1-sulfonyl)benzoic acid
| Molecular Formula | C12H16O4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.07693 |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 32910-75-1 |
|---|---|
| SMILES | CCCCCS(=O)(=O)C1=CC=C(C=C1)C(=O)O |
| InChIKey | PONXTRASYKQAIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, p-(pentylsulfonyl)- (CAS 32910-75-1), with molecular formula C12H16O4S and molecular weight 256.08 g/mol. IUPAC: 4-pentylsulfonylbenzoic acid.
Chemical Property Profile of Benzoic acid, p-(pentylsulfonyl)-
Property Insights of Benzoic acid, p-(pentylsulfonyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-(pentylsulfonyl)-. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-(pentylsulfonyl)-. Following Lipinski's Rule of Five, Benzoic acid, p-(pentylsulfonyl)- 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 Benzoic acid, p-(pentylsulfonyl)-?
The CAS number of Benzoic acid, p-(pentylsulfonyl)- is 32910-75-1.
What is the molecular formula of Benzoic acid, p-(pentylsulfonyl)-?
The molecular formula of Benzoic acid, p-(pentylsulfonyl)- is C12H16O4S.
What is the molecular weight of Benzoic acid, p-(pentylsulfonyl)-?
The molecular weight of Benzoic acid, p-(pentylsulfonyl)- is 256.08 g/mol.
Where can I buy Benzoic acid, p-(pentylsulfonyl)-?
You can request a quote for Benzoic acid, p-(pentylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-(pentylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(pentylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.