RefChem:465296
TL;DR: RefChem:465296 (CAS 73297-32-2) is a chemical compound with molecular formula C21H17N3O7S2 and molecular weight 487.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(4-methyl-2-sulfamoylanilino)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 2-Anthracenesulfonic acid, 1-amino-4-(((aminosulfonyl)-4-methylphenyl)amino)-9,10-dihydro-9,10-dioxo-, 2-Anthracenesulfonic acid, 1-amino-4-[[(aminosulfonyl)-4-methylphenyl]amino]-9,10-dihydro-9,10-dioxo-, 1-Amino-4-(4-methyl-2-sulfamoylanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 1-amino-4-(4-methyl-2-sulfamoylanilino)-9,10-dioxoanthracene-2-sulfonic acid, 1-amino-4-[(4-methyl-2-sulfamoyl-phenyl)amino]-9,10-dioxo-anthracene-2-sulfonic Acid
| Molecular Formula | C21H17N3O7S2 |
|---|---|
| Molecular Weight | 487.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.05078 |
| Heavy Atoms | 33 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 73297-32-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)N |
| InChIKey | FWNQBBFFKDUDGN-UHFFFAOYSA-N |
Product Overview
RefChem:465296 (CAS 73297-32-2), with molecular formula C21H17N3O7S2 and molecular weight 487.05 g/mol. IUPAC: 1-amino-4-(4-methyl-2-sulfamoylanilino)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:465296
Property Insights of RefChem:465296
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:465296. The TPSA of 203.0 Ų indicates high polarity, suggesting RefChem:465296 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465296 has 4 hydrogen bond donor(s) and 10 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:465296?
The CAS number of RefChem:465296 is 73297-32-2.
What is the molecular formula of RefChem:465296?
The molecular formula of RefChem:465296 is C21H17N3O7S2.
What is the molecular weight of RefChem:465296?
The molecular weight of RefChem:465296 is 487.05 g/mol.
Where can I buy RefChem:465296?
You can request a quote for RefChem:465296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465296?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.