1-(2,3,4-Trichlorobenzenesulfonyl)azepane
TL;DR: 1-(2,3,4-Trichlorobenzenesulfonyl)azepane (CAS 325813-35-2) is a chemical compound with molecular formula C12H14Cl3NO2S and molecular weight 340.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,4-trichlorophenyl)sulfonylazepane
Also Known As: BAS 01126536, 1-(2,3,4-trichlorobenzenesulfonyl)azepane, 1-(2,3,4-trichlorophenyl)sulfonylazepane, 1-(2,3,4-Trichloro-benzenesulfonyl)-azepane, 1-(azaperhydroepinylsulfonyl)-2,3,4-trichlorobenzene
| Molecular Formula | C12H14Cl3NO2S |
|---|---|
| Molecular Weight | 340.98 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.98108 |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 325813-35-2 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)Cl)Cl |
| InChIKey | VSKNRGBHXASDHI-UHFFFAOYSA-N |
Product Overview
1-(2,3,4-Trichlorobenzenesulfonyl)azepane (CAS 325813-35-2), with molecular formula C12H14Cl3NO2S and molecular weight 340.98 g/mol. IUPAC: 1-(2,3,4-trichlorophenyl)sulfonylazepane.
Chemical Property Profile of 1-(2,3,4-Trichlorobenzenesulfonyl)azepane
Property Insights of 1-(2,3,4-Trichlorobenzenesulfonyl)azepane
The XLogP value of 4.2 indicates that 1-(2,3,4-Trichlorobenzenesulfonyl)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-(2,3,4-Trichlorobenzenesulfonyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3,4-Trichlorobenzenesulfonyl)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-(2,3,4-Trichlorobenzenesulfonyl)azepane?
The CAS number of 1-(2,3,4-Trichlorobenzenesulfonyl)azepane is 325813-35-2.
What is the molecular formula of 1-(2,3,4-Trichlorobenzenesulfonyl)azepane?
The molecular formula of 1-(2,3,4-Trichlorobenzenesulfonyl)azepane is C12H14Cl3NO2S.
What is the molecular weight of 1-(2,3,4-Trichlorobenzenesulfonyl)azepane?
The molecular weight of 1-(2,3,4-Trichlorobenzenesulfonyl)azepane is 340.98 g/mol.
Where can I buy 1-(2,3,4-Trichlorobenzenesulfonyl)azepane?
You can request a quote for 1-(2,3,4-Trichlorobenzenesulfonyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3,4-Trichlorobenzenesulfonyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,4-Trichlorobenzenesulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.