RefChem:465353
TL;DR: RefChem:465353 (CAS 26941-42-4) is a chemical compound with molecular formula C21H16N2O8S and molecular weight 456.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8-diamino-1,5-dihydroxy-7-(4-methoxyphenyl)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 2-Anthracenesulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-7-(4-methoxyphenyl)-9,10-dioxo-, 4,8-Diamino-1,5-dihydroxy-7-(p-methoxyphenyl)anthraquinone-2-sulfonic acid, 4,8-diamino-1,5-dihydroxy-7-(4-methoxyphenyl)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 1,5-Diamino-4,8-dihydroxy-2-(p-methoxyphenyl)-7-anthraquinonesulfonic acid, 4,8-Diamino-9,10-dihydro-1,5-dihydroxy-7-(4-methoxyphenyl)-9,10-dioxoanthracene-2-sulphonic acid
| Molecular Formula | C21H16N2O8S |
|---|---|
| Molecular Weight | 456.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.06274 |
| Heavy Atoms | 32 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 26941-42-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=C3C(=C2N)C(=O)C4=C(C3=O)C(=CC(=C4O)S(=O)(=O)O)N)O |
| InChIKey | BOGQWONBGYJLTF-UHFFFAOYSA-N |
Product Overview
RefChem:465353 (CAS 26941-42-4), with molecular formula C21H16N2O8S and molecular weight 456.06 g/mol. IUPAC: 4,8-diamino-1,5-dihydroxy-7-(4-methoxyphenyl)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:465353
Property Insights of RefChem:465353
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:465353. The TPSA of 199.0 Ų indicates high polarity, suggesting RefChem:465353 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465353 has 5 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:465353?
The CAS number of RefChem:465353 is 26941-42-4.
What is the molecular formula of RefChem:465353?
The molecular formula of RefChem:465353 is C21H16N2O8S.
What is the molecular weight of RefChem:465353?
The molecular weight of RefChem:465353 is 456.06 g/mol.
Where can I buy RefChem:465353?
You can request a quote for RefChem:465353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465353?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.