N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide
TL;DR: N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide (CAS 727689-22-7) is a chemical compound with molecular formula C24H32N2O3S and molecular weight 428.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-tert-butylbenzenesulfonamide
Also Known As: VU0618316-1, F3394-0980, N-{[4-(azepane-1-carbonyl)phenyl]methyl}-4-tert-butylbenzene-1-sulfonamide, N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide, N-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-tert-butylbenzenesulfonamide
| Molecular Formula | C24H32N2O3S |
|---|---|
| Molecular Weight | 428.21 g/mol |
| LogP | 4.4788 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.21338 |
| Heavy Atoms | 30 |
| Complexity | 951.0058 |
Chemical Identifiers
| CAS Number | 727689-22-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCCCCC3 |
Product Overview
N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide (CAS 727689-22-7), with molecular formula C24H32N2O3S and molecular weight 428.21 g/mol. IUPAC: N-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-tert-butylbenzenesulfonamide.
Chemical Property Profile of N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide
Property Insights of N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide
The XLogP value of 4.4788 indicates that N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide 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 N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide. Following Lipinski's Rule of Five, N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide 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 N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide?
The CAS number of N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide is 727689-22-7.
What is the molecular formula of N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide?
The molecular formula of N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide is C24H32N2O3S.
What is the molecular weight of N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide?
The molecular weight of N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide is 428.21 g/mol.
Where can I buy N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide?
You can request a quote for N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(azepane-1-carbonyl)benzyl)-4-(tert-butyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.