RefChem:85482
TL;DR: RefChem:85482 (CAS 72139-12-9) is a chemical compound with molecular formula C24H12Cl3N5Na2O8S2 and molecular weight 712.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1-amino-9,10-dioxo-4-[3-sulfonato-4-[(2,5,6-trichloropyrimidin-4-yl)amino]anilino]anthracene-2-sulfonate
Also Known As: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-((3-sulfo-4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-((3-sulfo-4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-, sodium salt (1:2), 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-sulfo-4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-sulfo-4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-, sodium salt (1:2), 1-Amino-9,10-dihydro-9,10-dioxo-4-[[3-sulfo-4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-anthracenesulfonic acid disodium salt
| Molecular Formula | C24H12Cl3N5Na2O8S2 |
|---|---|
| Molecular Weight | 712.90 g/mol |
| LogP | -1.9022 |
| Topological Polar Surface Area | 241.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 712.8988 |
| Heavy Atoms | 44 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 72139-12-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=C(C(=NC(=N5)Cl)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+] |
| InChIKey | FYMOBWPMQLSRNE-UHFFFAOYSA-L |
Product Overview
RefChem:85482 (CAS 72139-12-9), with molecular formula C24H12Cl3N5Na2O8S2 and molecular weight 712.90 g/mol. IUPAC: disodium;1-amino-9,10-dioxo-4-[3-sulfonato-4-[(2,5,6-trichloropyrimidin-4-yl)amino]anilino]anthracene-2-sulfonate.
Chemical Property Profile of RefChem:85482
Property Insights of RefChem:85482
The XLogP value of -1.9022 indicates that RefChem:85482 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 241.0 Ų indicates high polarity, suggesting RefChem:85482 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:85482 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:85482?
The CAS number of RefChem:85482 is 72139-12-9.
What is the molecular formula of RefChem:85482?
The molecular formula of RefChem:85482 is C24H12Cl3N5Na2O8S2.
What is the molecular weight of RefChem:85482?
The molecular weight of RefChem:85482 is 712.90 g/mol.
Where can I buy RefChem:85482?
You can request a quote for RefChem:85482 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:85482?
Yes, KEHONG BIO provides custom synthesis services for RefChem:85482 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.