![1-[(4-Chlorobenzyl)sulfonyl]azepane structure](/static/products/827/827619-98-7.png)
1-[(4-Chlorobenzyl)sulfonyl]azepane
TL;DR: 1-[(4-Chlorobenzyl)sulfonyl]azepane (CAS 827619-98-7) is a chemical compound with molecular formula C13H18ClNO2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methylsulfonyl]azepane
Also Known As: Maybridge2_000560, 1-[(4-chlorobenzyl)sulfonyl]azepane, 1-[(4-chlorophenyl)methylsulfonyl]azepane, {[(4-chlorophenyl)methyl]sulfonyl}azaperhydroepine, 1-[(4-CHLOROPHENYL)METHANESULFONYL]AZEPANE
| Molecular Formula | C13H18ClNO2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.07468 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 827619-98-7 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)Cl |
| InChIKey | IERLLARUWYGJQJ-UHFFFAOYSA-N |
Product Overview
1-[(4-Chlorobenzyl)sulfonyl]azepane (CAS 827619-98-7), with molecular formula C13H18ClNO2S and molecular weight 287.07 g/mol. IUPAC: 1-[(4-chlorophenyl)methylsulfonyl]azepane.
Chemical Property Profile of 1-[(4-Chlorobenzyl)sulfonyl]azepane
Property Insights of 1-[(4-Chlorobenzyl)sulfonyl]azepane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Chlorobenzyl)sulfonyl]azepane. With a topological polar surface area (TPSA) of 45.8 Ų, 1-[(4-Chlorobenzyl)sulfonyl]azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Chlorobenzyl)sulfonyl]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-[(4-Chlorobenzyl)sulfonyl]azepane?
The CAS number of 1-[(4-Chlorobenzyl)sulfonyl]azepane is 827619-98-7.
What is the molecular formula of 1-[(4-Chlorobenzyl)sulfonyl]azepane?
The molecular formula of 1-[(4-Chlorobenzyl)sulfonyl]azepane is C13H18ClNO2S.
What is the molecular weight of 1-[(4-Chlorobenzyl)sulfonyl]azepane?
The molecular weight of 1-[(4-Chlorobenzyl)sulfonyl]azepane is 287.07 g/mol.
Where can I buy 1-[(4-Chlorobenzyl)sulfonyl]azepane?
You can request a quote for 1-[(4-Chlorobenzyl)sulfonyl]azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Chlorobenzyl)sulfonyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Chlorobenzyl)sulfonyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.