3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
TL;DR: 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide (CAS 420831-40-9) is a chemical compound with molecular formula C19H21BrN2O3S and molecular weight 436.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
Also Known As: 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide, compound 6672313, SIRT2 Inhibitor, AK-7, SIRT2 Inhibitor II, AK-7, SIRT2 Inhibitor II, AK-7?
| Molecular Formula | C19H21BrN2O3S |
|---|---|
| Molecular Weight | 436.05 g/mol |
| LogP | 4.2661 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.04562 |
| Heavy Atoms | 26 |
| Complexity | 891.1622 |
Chemical Identifiers
| CAS Number | 420831-40-9 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)Br |
Product Overview
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide (CAS 420831-40-9), with molecular formula C19H21BrN2O3S and molecular weight 436.05 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide.
Chemical Property Profile of 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
Property Insights of 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
The XLogP value of 4.2661 indicates that 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide. Following Lipinski's Rule of Five, 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide has 1 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 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide?
The CAS number of 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide is 420831-40-9.
What is the molecular formula of 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide?
The molecular formula of 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide is C19H21BrN2O3S.
What is the molecular weight of 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide?
The molecular weight of 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide is 436.05 g/mol.
Where can I buy 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide?
You can request a quote for 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.