RefChem:85440
TL;DR: RefChem:85440 (CAS 94021-06-4) is a chemical compound with molecular formula C28H19Cl2N5Na2O9S2 and molecular weight 748.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1-amino-4-[3-[(3,6-dichloropyridazine-4-carbonyl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Also Known As: 2-Anthracenesulfonic acid, 1-amino-4-((3-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-((3-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2), 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
| Molecular Formula | C28H19Cl2N5Na2O9S2 |
|---|---|
| Molecular Weight | 748.98 g/mol |
| LogP | -2.12164 |
| Topological Polar Surface Area | 258.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 748.9797 |
| Heavy Atoms | 48 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 94021-06-4 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1NC(=O)C2=CC(=NN=C2Cl)Cl)C)S(=O)(=O)[O-])C)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | GFJJJEAJJKHNRO-UHFFFAOYSA-L |
Product Overview
RefChem:85440 (CAS 94021-06-4), with molecular formula C28H19Cl2N5Na2O9S2 and molecular weight 748.98 g/mol. IUPAC: disodium;1-amino-4-[3-[(3,6-dichloropyridazine-4-carbonyl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:85440
Property Insights of RefChem:85440
The XLogP value of -2.12164 indicates that RefChem:85440 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 258.0 Ų indicates high polarity, suggesting RefChem:85440 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:85440 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:85440?
The CAS number of RefChem:85440 is 94021-06-4.
What is the molecular formula of RefChem:85440?
The molecular formula of RefChem:85440 is C28H19Cl2N5Na2O9S2.
What is the molecular weight of RefChem:85440?
The molecular weight of RefChem:85440 is 748.98 g/mol.
Where can I buy RefChem:85440?
You can request a quote for RefChem:85440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:85440?
Yes, KEHONG BIO provides custom synthesis services for RefChem:85440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.