1-(2,6-Dichlorobenzenesulfonyl)azepane
TL;DR: 1-(2,6-Dichlorobenzenesulfonyl)azepane (CAS 613658-38-1) is a chemical compound with molecular formula C12H15Cl2NO2S and molecular weight 307.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dichlorophenyl)sulfonylazepane
Also Known As: 1-(2,6-dichlorobenzenesulfonyl)azepane, 1-(2,6-dichlorophenyl)sulfonylazepane, 1-(2,6-dichlorophenylsulfonyl)azepane, 1-((2,6-dichlorophenyl)sulfonyl)azepane, VU0489243-1
| Molecular Formula | C12H15Cl2NO2S |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.02005 |
| Heavy Atoms | 18 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 613658-38-1 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=C(C=CC=C2Cl)Cl |
| InChIKey | PNCLMCILHJMOBZ-UHFFFAOYSA-N |
Product Overview
1-(2,6-Dichlorobenzenesulfonyl)azepane (CAS 613658-38-1), with molecular formula C12H15Cl2NO2S and molecular weight 307.02 g/mol. IUPAC: 1-(2,6-dichlorophenyl)sulfonylazepane.
Chemical Property Profile of 1-(2,6-Dichlorobenzenesulfonyl)azepane
Property Insights of 1-(2,6-Dichlorobenzenesulfonyl)azepane
The XLogP value of 3.5 indicates that 1-(2,6-Dichlorobenzenesulfonyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(2,6-Dichlorobenzenesulfonyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6-Dichlorobenzenesulfonyl)azepane has 0 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 1-(2,6-Dichlorobenzenesulfonyl)azepane?
The CAS number of 1-(2,6-Dichlorobenzenesulfonyl)azepane is 613658-38-1.
What is the molecular formula of 1-(2,6-Dichlorobenzenesulfonyl)azepane?
The molecular formula of 1-(2,6-Dichlorobenzenesulfonyl)azepane is C12H15Cl2NO2S.
What is the molecular weight of 1-(2,6-Dichlorobenzenesulfonyl)azepane?
The molecular weight of 1-(2,6-Dichlorobenzenesulfonyl)azepane is 307.02 g/mol.
Where can I buy 1-(2,6-Dichlorobenzenesulfonyl)azepane?
You can request a quote for 1-(2,6-Dichlorobenzenesulfonyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-Dichlorobenzenesulfonyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Dichlorobenzenesulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.