RefChem:563829
TL;DR: RefChem:563829 (CAS 71598-18-0) is a chemical compound with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)-2-methylbenzenesulfonamide
Also Known As: n-[-1-yl]-2-methylbenzenesulfonamide, N-[ -1-yl]-2-methylbenzenesulfonamide, Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-2-methyl-, 1-amino-2-methoxy-4-toluenesulfonamidoanthraquinone, N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)-2-methylbenzenesulfonamide
| Molecular Formula | C22H18N2O5S |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 3.16202 |
| Topological Polar Surface Area | 115.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.09363 |
| Heavy Atoms | 30 |
| Complexity | 1329.3497 |
Chemical Identifiers
| CAS Number | 71598-18-0 |
|---|---|
| SMILES | CC1=CC=CC=C1S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC |
Product Overview
RefChem:563829 (CAS 71598-18-0), with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol. IUPAC: N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)-2-methylbenzenesulfonamide.
Chemical Property Profile of RefChem:563829
Property Insights of RefChem:563829
The XLogP value of 3.16202 indicates that RefChem:563829 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.56 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:563829. Following Lipinski's Rule of Five, RefChem:563829 has 2 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 RefChem:563829?
The CAS number of RefChem:563829 is 71598-18-0.
What is the molecular formula of RefChem:563829?
The molecular formula of RefChem:563829 is C22H18N2O5S.
What is the molecular weight of RefChem:563829?
The molecular weight of RefChem:563829 is 422.09 g/mol.
Where can I buy RefChem:563829?
You can request a quote for RefChem:563829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563829?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.