N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide
TL;DR: N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide (CAS 425401-99-6) is a chemical compound with molecular formula C21H14ClNO4S and molecular weight 411.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide
Also Known As: AQ-390/13388148, N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide, N-(5-chloro-2-methylphenyl)-9,10-dioxo-9,10-dihydro-1-anthracenesulfonamide, N-(5-chloro-2-methylphenyl)-9,10-dioxo-9,10-dihydroanthracene-1-sulfonamide
| Molecular Formula | C21H14ClNO4S |
|---|---|
| Molecular Weight | 411.03 g/mol |
| LogP | 4.22462 |
| Topological Polar Surface Area | 80.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.0332 |
| Heavy Atoms | 28 |
| Complexity | 1265.1472 |
Chemical Identifiers
| CAS Number | 425401-99-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O |
Product Overview
N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide (CAS 425401-99-6), with molecular formula C21H14ClNO4S and molecular weight 411.03 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide.
Chemical Property Profile of N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide
Property Insights of N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide
The XLogP value of 4.22462 indicates that N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide. Following Lipinski's Rule of Five, N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide has 1 hydrogen bond donor(s) and 4 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-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide?
The CAS number of N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide is 425401-99-6.
What is the molecular formula of N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide?
The molecular formula of N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide is C21H14ClNO4S.
What is the molecular weight of N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide?
The molecular weight of N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide is 411.03 g/mol.
Where can I buy N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide?
You can request a quote for N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-methylphenyl)-9,10-dioxoanthracene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.