5-Benzylsulfonylpentyl chloride
TL;DR: 5-Benzylsulfonylpentyl chloride (CAS 14686-58-9) is a chemical compound with molecular formula C12H17ClO2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloropentylsulfonylmethylbenzene
Also Known As: 5-benzylsulfonylpentyl chloride, 5-chloropentylsulfonylmethylbenzene, KST-1B0526, N-Benzoyl trimethylcolchicinic acid, {[(5-chloropentyl)sulfonyl]methyl}benzene
| Molecular Formula | C12H17ClO2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 260.06378 |
| Heavy Atoms | 16 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 14686-58-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)CCCCCCl |
| InChIKey | UYEWUSDKYMQCOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzylsulfonylpentyl chloride (CAS 14686-58-9), with molecular formula C12H17ClO2S and molecular weight 260.06 g/mol. IUPAC: 5-chloropentylsulfonylmethylbenzene.
Chemical Property Profile of 5-Benzylsulfonylpentyl chloride
Property Insights of 5-Benzylsulfonylpentyl chloride
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylsulfonylpentyl chloride. With a topological polar surface area (TPSA) of 42.5 Ų, 5-Benzylsulfonylpentyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzylsulfonylpentyl 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 5-Benzylsulfonylpentyl chloride?
The CAS number of 5-Benzylsulfonylpentyl chloride is 14686-58-9.
What is the molecular formula of 5-Benzylsulfonylpentyl chloride?
The molecular formula of 5-Benzylsulfonylpentyl chloride is C12H17ClO2S.
What is the molecular weight of 5-Benzylsulfonylpentyl chloride?
The molecular weight of 5-Benzylsulfonylpentyl chloride is 260.06 g/mol.
Where can I buy 5-Benzylsulfonylpentyl chloride?
You can request a quote for 5-Benzylsulfonylpentyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylsulfonylpentyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylsulfonylpentyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.