![N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide structure](/static/products/6902/690245-69-3.webp)
N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide
TL;DR: N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide (CAS 690245-69-3) is a chemical compound with molecular formula C22H28N2O3S and molecular weight 400.18 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]-2,5-dimethylbenzenesulfonamide
Also Known As: N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide, AQ-750/42210272, N-[[4-(azepane-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide, N-{[4-(azepane-1-carbonyl)phenyl]methyl}-2,5-dimethylbenzene-1-sulfonamide, (1-azepanyl){p-[(2,5-xylylsulfonylamino)methyl]phenyl}methanone
| Molecular Formula | C22H28N2O3S |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 3.79814 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.18207 |
| Heavy Atoms | 28 |
| Complexity | 928.7543 |
Chemical Identifiers
| CAS Number | 690245-69-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCCCCC3 |
Product Overview
N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide (CAS 690245-69-3), with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol. IUPAC: N-[[4-(azepane-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide.
Chemical Property Profile of N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide
Property Insights of N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide
The XLogP value of 3.79814 indicates that N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide 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-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide. Following Lipinski's Rule of Five, N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide 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-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide?
The CAS number of N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide is 690245-69-3.
What is the molecular formula of N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide?
The molecular formula of N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide is C22H28N2O3S.
What is the molecular weight of N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide?
The molecular weight of N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide is 400.18 g/mol.
Where can I buy N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide?
You can request a quote for N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(1-azepanylcarbonyl)benzyl]-2,5-dimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.