1-(Methanesulfonyl)-1H-azepine
TL;DR: 1-(Methanesulfonyl)-1H-azepine (CAS 20646-53-1) is a chemical compound with molecular formula C7H9NO2S and molecular weight 171.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonylazepine
Also Known As: 1-methylsulfonylazepine, 1- -1H-azepine, 1-(Methylsulfonyl)-1H-azepine, N-Methansulfonyl-1H-azepin, 1-Methylsulfonyl-1H-azepine
| Molecular Formula | C7H9NO2S |
|---|---|
| Molecular Weight | 171.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.0354 |
| Heavy Atoms | 11 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 20646-53-1 |
|---|---|
| SMILES | CS(=O)(=O)N1C=CC=CC=C1 |
| InChIKey | CGTCSULLRBOZPW-UHFFFAOYSA-N |
Product Overview
1-(Methanesulfonyl)-1H-azepine (CAS 20646-53-1), with molecular formula C7H9NO2S and molecular weight 171.04 g/mol. IUPAC: 1-methylsulfonylazepine.
Chemical Property Profile of 1-(Methanesulfonyl)-1H-azepine
Property Insights of 1-(Methanesulfonyl)-1H-azepine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methanesulfonyl)-1H-azepine. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(Methanesulfonyl)-1H-azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Methanesulfonyl)-1H-azepine 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-(Methanesulfonyl)-1H-azepine?
The CAS number of 1-(Methanesulfonyl)-1H-azepine is 20646-53-1.
What is the molecular formula of 1-(Methanesulfonyl)-1H-azepine?
The molecular formula of 1-(Methanesulfonyl)-1H-azepine is C7H9NO2S.
What is the molecular weight of 1-(Methanesulfonyl)-1H-azepine?
The molecular weight of 1-(Methanesulfonyl)-1H-azepine is 171.04 g/mol.
Where can I buy 1-(Methanesulfonyl)-1H-azepine?
You can request a quote for 1-(Methanesulfonyl)-1H-azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methanesulfonyl)-1H-azepine?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methanesulfonyl)-1H-azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.