RefChem:72462
TL;DR: RefChem:72462 (CAS 72639-33-9) is a chemical compound with molecular formula C26H17ClK3N5O13S4 and molecular weight 886.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tripotassium;4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-6-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]benzene-1,3-disulfonate
Also Known As: 1,3-Benzenedisulfonic acid, 4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-6-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-, tripotassium salt, 1,3-Benzenedisulfonic acid, 4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-6-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-, potassium salt (1:3), 1-Amino-4-((5-((2-(methylsulfonyl)-4-methyl-5-chloro-6-pyrimidinyl)amino)-2,4-disulfophenyl)amino)-2-sulfoanthraquinone, tripotassium salt, 1,3-Benzenedisulfonic acid, 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-6-[[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino]-, potassium salt (1:3), 1,3-Benzenedisulfonic acid, 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-6-[[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino]-, tripotassium salt
| Molecular Formula | C26H17ClK3N5O13S4 |
|---|---|
| Molecular Weight | 886.83 g/mol |
| LogP | -7.58898 |
| Topological Polar Surface Area | 349.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 5 |
| Exact Mass | 886.83057 |
| Heavy Atoms | 52 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 72639-33-9 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)S(=O)(=O)C)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-])S(=O)(=O)[O-])Cl.[K+].[K+].[K+] |
| InChIKey | ZPYLDMFMVASTAW-UHFFFAOYSA-K |
Product Overview
RefChem:72462 (CAS 72639-33-9), with molecular formula C26H17ClK3N5O13S4 and molecular weight 886.83 g/mol. IUPAC: tripotassium;4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-6-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]benzene-1,3-disulfonate.
Chemical Property Profile of RefChem:72462
Property Insights of RefChem:72462
The XLogP value of -7.58898 indicates that RefChem:72462 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 349.0 Ų indicates high polarity, suggesting RefChem:72462 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72462 has 3 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:72462?
The CAS number of RefChem:72462 is 72639-33-9.
What is the molecular formula of RefChem:72462?
The molecular formula of RefChem:72462 is C26H17ClK3N5O13S4.
What is the molecular weight of RefChem:72462?
The molecular weight of RefChem:72462 is 886.83 g/mol.
Where can I buy RefChem:72462?
You can request a quote for RefChem:72462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72462?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.