ChemDiv1_006769
TL;DR: ChemDiv1_006769 (CAS 352558-72-6) is a chemical compound with molecular formula C22H26ClN3O6S and molecular weight 495.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide
Also Known As: ChemDiv1_006769, BIM-0038800.P001, AH-487/13291019, N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide, N-[2-(1-azepanyl)-2-oxoethyl]-N-(5-chloro-2-methoxyphenyl)-3-nitro-4-methylbenzenesulfonamide
| Molecular Formula | C22H26ClN3O6S |
|---|---|
| Molecular Weight | 495.12 g/mol |
| LogP | 4.16312 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.12308 |
| Heavy Atoms | 33 |
| Complexity | 1146.8153 |
Chemical Identifiers
| CAS Number | 352558-72-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-] |
Product Overview
ChemDiv1_006769 (CAS 352558-72-6), with molecular formula C22H26ClN3O6S and molecular weight 495.12 g/mol. IUPAC: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of ChemDiv1_006769
Property Insights of ChemDiv1_006769
The XLogP value of 4.16312 indicates that ChemDiv1_006769 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006769. Following Lipinski's Rule of Five, ChemDiv1_006769 has 0 hydrogen bond donor(s) and 6 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 ChemDiv1_006769?
The CAS number of ChemDiv1_006769 is 352558-72-6.
What is the molecular formula of ChemDiv1_006769?
The molecular formula of ChemDiv1_006769 is C22H26ClN3O6S.
What is the molecular weight of ChemDiv1_006769?
The molecular weight of ChemDiv1_006769 is 495.12 g/mol.
Where can I buy ChemDiv1_006769?
You can request a quote for ChemDiv1_006769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006769?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.