6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol
TL;DR: 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol (CAS 85019-49-4) is a chemical compound with molecular formula C13H15ClO3S and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol
Also Known As: 6-(benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol, 5-chloro-2-methyl-6-(phenylsulfonyl)-3-hexyn-2-ol, 5-chloro-2-methyl-6-(phenylsulfonyl)hex-3-yn-2-ol, 2-chloro-5-methyl-1-(phenylsulfonyl)hex-3-yn-5-ol
| Molecular Formula | C13H15ClO3S |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 1.842 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.04303 |
| Heavy Atoms | 18 |
| Complexity | 547.3845 |
Chemical Identifiers
| CAS Number | 85019-49-4 |
|---|---|
| SMILES | CC(C)(C#CC(CS(=O)(=O)C1=CC=CC=C1)Cl)O |
Product Overview
6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol (CAS 85019-49-4), with molecular formula C13H15ClO3S and molecular weight 286.04 g/mol. IUPAC: 6-(benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol.
Chemical Property Profile of 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol
Property Insights of 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol
The XLogP value of 1.842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol. With a topological polar surface area (TPSA) of 54.37 Ų, 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol has 1 hydrogen bond donor(s) and 3 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 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol?
The CAS number of 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol is 85019-49-4.
What is the molecular formula of 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol?
The molecular formula of 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol is C13H15ClO3S.
What is the molecular weight of 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol?
The molecular weight of 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol is 286.04 g/mol.
Where can I buy 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol?
You can request a quote for 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzenesulfonyl)-5-chloro-2-methylhex-3-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.