RefChem:85453
TL;DR: RefChem:85453 (CAS 4913-28-4) is a chemical compound with molecular formula C27H17N3Na2O9S2 and molecular weight 637.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1-amino-4-(4-benzamido-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate
Also Known As: 1H-Indene,2,3-dihydro-1,1-dimethyl, 2-Anthraquinonesulfonic acid, 1-amino-4-((4-(benzoylamino)-3-sulfophenyl)amino)-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-[[4-(benzoylamino)-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-((4-(benzoylamino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2), 2-Anthracenesulfonic acid, 1-amino-4-((4-(benzoylamino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt
| Molecular Formula | C27H17N3Na2O9S2 |
|---|---|
| Molecular Weight | 637.02 g/mol |
| LogP | -3.14 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 637.02014 |
| Heavy Atoms | 43 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 4913-28-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | PKXUWWYFRJXWSR-UHFFFAOYSA-L |
Product Overview
RefChem:85453 (CAS 4913-28-4), with molecular formula C27H17N3Na2O9S2 and molecular weight 637.02 g/mol. IUPAC: disodium;1-amino-4-(4-benzamido-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:85453
Property Insights of RefChem:85453
The XLogP value of -3.14 indicates that RefChem:85453 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 232.0 Ų indicates high polarity, suggesting RefChem:85453 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:85453 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:85453?
The CAS number of RefChem:85453 is 4913-28-4.
What is the molecular formula of RefChem:85453?
The molecular formula of RefChem:85453 is C27H17N3Na2O9S2.
What is the molecular weight of RefChem:85453?
The molecular weight of RefChem:85453 is 637.02 g/mol.
Where can I buy RefChem:85453?
You can request a quote for RefChem:85453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:85453?
Yes, KEHONG BIO provides custom synthesis services for RefChem:85453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.