RefChem:465319
TL;DR: RefChem:465319 (CAS 54946-60-0) is a chemical compound with molecular formula C21H16N2O6S and molecular weight 424.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-Amino-4-(p-anisidino)-2-sulfoanthraquinone, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methoxyphenyl)amino]-9,10-dioxo-, 1-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid, 1-amino-4-[(4-methoxyphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 1-Amino-9,10-dihydro-4-((4-methoxyphenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid
| Molecular Formula | C21H16N2O6S |
|---|---|
| Molecular Weight | 424.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.0729 |
| Heavy Atoms | 30 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 54946-60-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
| InChIKey | MURCBJRRFKMCAT-UHFFFAOYSA-N |
Product Overview
RefChem:465319 (CAS 54946-60-0), with molecular formula C21H16N2O6S and molecular weight 424.07 g/mol. IUPAC: 1-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:465319
Property Insights of RefChem:465319
The XLogP value of 3.6 indicates that RefChem:465319 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:465319 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465319 has 3 hydrogen bond donor(s) and 8 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:465319?
The CAS number of RefChem:465319 is 54946-60-0.
What is the molecular formula of RefChem:465319?
The molecular formula of RefChem:465319 is C21H16N2O6S.
What is the molecular weight of RefChem:465319?
The molecular weight of RefChem:465319 is 424.07 g/mol.
Where can I buy RefChem:465319?
You can request a quote for RefChem:465319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465319?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.