RefChem:83608
TL;DR: RefChem:83608 (CAS 61752-67-8) is a chemical compound with molecular formula C22H15N3Na2O9S2 and molecular weight 575.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-(4-acetamidoanilino)-1-azanidyloxysulfonyl-9,10-dioxoanthracene-2-sulfonate
Also Known As: C.I.ACID BLUE 52, 2,?-Anthracenedisulfonic acid, 4-((4-(acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo-, disodium salt, 2,?-Anthracenedisulfonic acid, 4-((4-(acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:2), 2,?-Anthracenedisulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, disodium salt, disodium 4-(4-acetamidoanilino)-1-azanidyloxysulfonyl-9,10-dioxoanthracene-2-sulfonate
| Molecular Formula | C22H15N3Na2O9S2 |
|---|---|
| Molecular Weight | 575.00 g/mol |
| LogP | -3.2514 |
| Topological Polar Surface Area | 199.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 575.0045 |
| Heavy Atoms | 38 |
| Complexity | 1674.8062 |
Chemical Identifiers
| CAS Number | 61752-67-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O[NH-])S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
RefChem:83608 (CAS 61752-67-8), with molecular formula C22H15N3Na2O9S2 and molecular weight 575.00 g/mol. IUPAC: disodium;4-(4-acetamidoanilino)-1-azanidyloxysulfonyl-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:83608
Property Insights of RefChem:83608
The XLogP value of -3.2514 indicates that RefChem:83608 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.64 Ų indicates high polarity, suggesting RefChem:83608 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:83608 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:83608?
The CAS number of RefChem:83608 is 61752-67-8.
What is the molecular formula of RefChem:83608?
The molecular formula of RefChem:83608 is C22H15N3Na2O9S2.
What is the molecular weight of RefChem:83608?
The molecular weight of RefChem:83608 is 575.00 g/mol.
Where can I buy RefChem:83608?
You can request a quote for RefChem:83608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:83608?
Yes, KEHONG BIO provides custom synthesis services for RefChem:83608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.