1-(Benzylsulfonyl)azepane
TL;DR: 1-(Benzylsulfonyl)azepane (CAS 330469-64-2) is a chemical compound with molecular formula C13H19NO2S and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfonylazepane
Also Known As: 1-benzylsulfonylazepane, 1-(benzylsulfonyl)azepane, TimTec1_002948, [benzylsulfonyl]azaperhydroepine, 1-(phenylmethane)sulfonylazepane
| Molecular Formula | C13H19NO2S |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.11365 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 330469-64-2 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)CC2=CC=CC=C2 |
| InChIKey | CRWUIWIYBHVTQV-UHFFFAOYSA-N |
Product Overview
1-(Benzylsulfonyl)azepane (CAS 330469-64-2), with molecular formula C13H19NO2S and molecular weight 253.11 g/mol. IUPAC: 1-benzylsulfonylazepane.
Chemical Property Profile of 1-(Benzylsulfonyl)azepane
Property Insights of 1-(Benzylsulfonyl)azepane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzylsulfonyl)azepane. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(Benzylsulfonyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzylsulfonyl)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-(Benzylsulfonyl)azepane?
The CAS number of 1-(Benzylsulfonyl)azepane is 330469-64-2.
What is the molecular formula of 1-(Benzylsulfonyl)azepane?
The molecular formula of 1-(Benzylsulfonyl)azepane is C13H19NO2S.
What is the molecular weight of 1-(Benzylsulfonyl)azepane?
The molecular weight of 1-(Benzylsulfonyl)azepane is 253.11 g/mol.
Where can I buy 1-(Benzylsulfonyl)azepane?
You can request a quote for 1-(Benzylsulfonyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzylsulfonyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzylsulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.