![6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane structure](/static/products/459/459791-20-9.png)
6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane
TL;DR: 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane (CAS 459791-20-9) is a chemical compound with molecular formula C13H15ClO2S and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(benzenesulfonyl)-7-chlorobicyclo[3.1.1]heptane
Also Known As: 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane, 6-chloro-7-(phenylsulfonyl)bicyclo[3.1.1]heptane, 7-(benzenesulfonyl)-6-chlorobicyclo[3.1.1]heptane
| Molecular Formula | C13H15ClO2S |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 2.8662 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.04813 |
| Heavy Atoms | 17 |
| Complexity | 499.4808 |
Chemical Identifiers
| CAS Number | 459791-20-9 |
|---|---|
| SMILES | C1CC2C(C(C1)C2Cl)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane (CAS 459791-20-9), with molecular formula C13H15ClO2S and molecular weight 270.05 g/mol. IUPAC: 6-(benzenesulfonyl)-7-chlorobicyclo[3.1.1]heptane.
Chemical Property Profile of 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane
Property Insights of 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane
The XLogP value of 2.8662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane. With a topological polar surface area (TPSA) of 34.14 Ų, 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane 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 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane?
The CAS number of 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane is 459791-20-9.
What is the molecular formula of 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane?
The molecular formula of 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane is C13H15ClO2S.
What is the molecular weight of 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane?
The molecular weight of 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane is 270.05 g/mol.
Where can I buy 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane?
You can request a quote for 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzenesulfonyl-7-chloro-bicyclo[3.1.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.