RefChem:465325
TL;DR: RefChem:465325 (CAS 6247-36-5) is a chemical compound with molecular formula C21H16N2O8S2 and molecular weight 488.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: Acid Blue 145 Free Acid, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methyl-2-sulfophenyl)amino)-9,10-dioxo-, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-, 1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid, 1-Amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-2-anthracenesulfonic acid
| Molecular Formula | C21H16N2O8S2 |
|---|---|
| Molecular Weight | 488.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.03482 |
| Heavy Atoms | 33 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 6247-36-5 |
|---|---|
| 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)O |
| InChIKey | ZXJLRDYNAAGYLU-UHFFFAOYSA-N |
Product Overview
RefChem:465325 (CAS 6247-36-5), with molecular formula C21H16N2O8S2 and molecular weight 488.03 g/mol. IUPAC: 1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:465325
Property Insights of RefChem:465325
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:465325. The TPSA of 198.0 Ų indicates high polarity, suggesting RefChem:465325 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465325 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:465325?
The CAS number of RefChem:465325 is 6247-36-5.
What is the molecular formula of RefChem:465325?
The molecular formula of RefChem:465325 is C21H16N2O8S2.
What is the molecular weight of RefChem:465325?
The molecular weight of RefChem:465325 is 488.03 g/mol.
Where can I buy RefChem:465325?
You can request a quote for RefChem:465325 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465325?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465325 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.