1H-Azepine, 1-(phenylsulfonyl)-
TL;DR: 1H-Azepine, 1-(phenylsulfonyl)- (CAS 20646-54-2) is a chemical compound with molecular formula C12H11NO2S and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)azepine
Also Known As: 1-(benzenesulfonyl)azepine, 1H-Azepine, 1-(phenylsulfonyl)-, N-benzenesulfonylazepime, N-benzenesulfonyl-azepine, 1-(Phenylsulfonyl)-1H-azepine
| Molecular Formula | C12H11NO2S |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.05106 |
| Heavy Atoms | 16 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 20646-54-2 |
|---|---|
| SMILES | C1=CC=CN(C=C1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | NPNLBXIUSDMNFH-UHFFFAOYSA-N |
Product Overview
1H-Azepine, 1-(phenylsulfonyl)- (CAS 20646-54-2), with molecular formula C12H11NO2S and molecular weight 233.05 g/mol. IUPAC: 1-(benzenesulfonyl)azepine.
Chemical Property Profile of 1H-Azepine, 1-(phenylsulfonyl)-
Property Insights of 1H-Azepine, 1-(phenylsulfonyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepine, 1-(phenylsulfonyl)-. With a topological polar surface area (TPSA) of 45.8 Ų, 1H-Azepine, 1-(phenylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepine, 1-(phenylsulfonyl)- 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 1H-Azepine, 1-(phenylsulfonyl)-?
The CAS number of 1H-Azepine, 1-(phenylsulfonyl)- is 20646-54-2.
What is the molecular formula of 1H-Azepine, 1-(phenylsulfonyl)-?
The molecular formula of 1H-Azepine, 1-(phenylsulfonyl)- is C12H11NO2S.
What is the molecular weight of 1H-Azepine, 1-(phenylsulfonyl)-?
The molecular weight of 1H-Azepine, 1-(phenylsulfonyl)- is 233.05 g/mol.
Where can I buy 1H-Azepine, 1-(phenylsulfonyl)-?
You can request a quote for 1H-Azepine, 1-(phenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepine, 1-(phenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine, 1-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.