N-(4-Bromophenylsulfonyl)-1H-azepine
TL;DR: N-(4-Bromophenylsulfonyl)-1H-azepine (CAS 20646-55-3) is a chemical compound with molecular formula C12H10BrNO2S and molecular weight 310.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)sulfonylazepine
Also Known As: 1-[ sulfonyl]-1H-azepine, 1-(4-bromophenyl)sulfonylazepine, N-(4-Bromophenylsulfonyl)-1H-azepine, 1-(4-bromobenzenesulfonyl)-1H-azepine, 1-[(p-Bromophenyl)sulfonyl]-1H-azepine
| Molecular Formula | C12H10BrNO2S |
|---|---|
| Molecular Weight | 310.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.96155 |
| Heavy Atoms | 17 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 20646-55-3 |
|---|---|
| SMILES | C1=CC=CN(C=C1)S(=O)(=O)C2=CC=C(C=C2)Br |
| InChIKey | BFPNXVJVHFBCGA-UHFFFAOYSA-N |
Product Overview
N-(4-Bromophenylsulfonyl)-1H-azepine (CAS 20646-55-3), with molecular formula C12H10BrNO2S and molecular weight 310.96 g/mol. IUPAC: 1-(4-bromophenyl)sulfonylazepine.
Chemical Property Profile of N-(4-Bromophenylsulfonyl)-1H-azepine
Property Insights of N-(4-Bromophenylsulfonyl)-1H-azepine
The XLogP value of 3.1 indicates that N-(4-Bromophenylsulfonyl)-1H-azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, N-(4-Bromophenylsulfonyl)-1H-azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Bromophenylsulfonyl)-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 N-(4-Bromophenylsulfonyl)-1H-azepine?
The CAS number of N-(4-Bromophenylsulfonyl)-1H-azepine is 20646-55-3.
What is the molecular formula of N-(4-Bromophenylsulfonyl)-1H-azepine?
The molecular formula of N-(4-Bromophenylsulfonyl)-1H-azepine is C12H10BrNO2S.
What is the molecular weight of N-(4-Bromophenylsulfonyl)-1H-azepine?
The molecular weight of N-(4-Bromophenylsulfonyl)-1H-azepine is 310.96 g/mol.
Where can I buy N-(4-Bromophenylsulfonyl)-1H-azepine?
You can request a quote for N-(4-Bromophenylsulfonyl)-1H-azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Bromophenylsulfonyl)-1H-azepine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Bromophenylsulfonyl)-1H-azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.