4-Butylbenzene-1-sulfonyl chloride
TL;DR: 4-Butylbenzene-1-sulfonyl chloride (CAS 54997-92-1) is a chemical compound with molecular formula C10H13ClO2S and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butylbenzenesulfonyl chloride
Also Known As: 4-butylbenzene-1-sulfonyl chloride, 4-butylbenzenesulfonyl chloride, 4-N-Butylbenzenesulfonyl chloride, 4-n-butylbenzenesulphonyl chloride, (4-butylphenyl)chlorosulfone
| Molecular Formula | C10H13ClO2S |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 2.9567 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.03249 |
| Heavy Atoms | 14 |
| Complexity | 381.08795 |
Chemical Identifiers
| CAS Number | 54997-92-1 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)S(=O)(=O)Cl |
Product Overview
4-Butylbenzene-1-sulfonyl chloride (CAS 54997-92-1), with molecular formula C10H13ClO2S and molecular weight 232.03 g/mol. IUPAC: 4-butylbenzenesulfonyl chloride.
Chemical Property Profile of 4-Butylbenzene-1-sulfonyl chloride
Property Insights of 4-Butylbenzene-1-sulfonyl chloride
The XLogP value of 2.9567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butylbenzene-1-sulfonyl chloride. With a topological polar surface area (TPSA) of 34.14 Ų, 4-Butylbenzene-1-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butylbenzene-1-sulfonyl chloride has 0 hydrogen bond donor(s) and 2 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 4-Butylbenzene-1-sulfonyl chloride?
The CAS number of 4-Butylbenzene-1-sulfonyl chloride is 54997-92-1.
What is the molecular formula of 4-Butylbenzene-1-sulfonyl chloride?
The molecular formula of 4-Butylbenzene-1-sulfonyl chloride is C10H13ClO2S.
What is the molecular weight of 4-Butylbenzene-1-sulfonyl chloride?
The molecular weight of 4-Butylbenzene-1-sulfonyl chloride is 232.03 g/mol.
Where can I buy 4-Butylbenzene-1-sulfonyl chloride?
You can request a quote for 4-Butylbenzene-1-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butylbenzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Butylbenzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.