RefChem:576779
TL;DR: RefChem:576779 (CAS 72429-12-0) is a chemical compound with molecular formula C40H14Cl8CrN10Na5O16S4 and molecular weight 1464.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentasodium;bis(3-[(5-chloro-2-oxidophenyl)diazenyl]-4-oxido-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate);chromium(3+)
Also Known As: Chromate(5-), bis(3-((5-chloro-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-4-(hydroxy-kappaO)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(4-))-, pentasodium, Chromate(5-), bis(3-(2-(5-chloro-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(4-))-, sodium (1:5), Chromate(5-), bis[3-[(5-chloro-2-hydroxyphenyl)azo]-4-hydroxy-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]-2,7-naphthalenedisulfonato(4-)]-, pentasodium, Chromate(5-), bis[3-[[5-chloro-2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]-2,7-naphthalenedisulfonato(4-)]-, pentasodium, Chromate(5-), bis[3-[2-[5-chloro-2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]-2,7-naphthalenedisulfonato(4-)]-, sodium (1:5)
| Molecular Formula | C40H14Cl8CrN10Na5O16S4 |
|---|---|
| Molecular Weight | 1464.59 g/mol |
| LogP | -6.2669 |
| Topological Polar Surface Area | 480.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 8 |
| Exact Mass | 1464.5874 |
| Heavy Atoms | 84 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 72429-12-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=C(C(=NC(=N4)Cl)Cl)Cl)[O-])[O-].C1=CC(=C(C=C1Cl)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=C(C(=NC(=N4)Cl)Cl)Cl)[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Cr+3] |
| InChIKey | AVRWSBBFSZXDRJ-UHFFFAOYSA-F |
Product Overview
RefChem:576779 (CAS 72429-12-0), with molecular formula C40H14Cl8CrN10Na5O16S4 and molecular weight 1464.59 g/mol. IUPAC: pentasodium;bis(3-[(5-chloro-2-oxidophenyl)diazenyl]-4-oxido-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate);chromium(3+).
Chemical Property Profile of RefChem:576779
Property Insights of RefChem:576779
The XLogP value of -6.2669 indicates that RefChem:576779 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 480.0 Ų indicates high polarity, suggesting RefChem:576779 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576779 has 2 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576779?
The CAS number of RefChem:576779 is 72429-12-0.
What is the molecular formula of RefChem:576779?
The molecular formula of RefChem:576779 is C40H14Cl8CrN10Na5O16S4.
What is the molecular weight of RefChem:576779?
The molecular weight of RefChem:576779 is 1464.59 g/mol.
Where can I buy RefChem:576779?
You can request a quote for RefChem:576779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576779?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.