RefChem:576653
TL;DR: RefChem:576653 (CAS 70788-62-4) is a chemical compound with molecular formula C42H25Cl2CrN12Na2O14S2 and molecular weight 1152.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;bis(2-[[6-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-1-oxido-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate);chromium(3+);hydron
Also Known As: Chromate(3-), bis(2-((6-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)benzoato(3-))-, disodium hydrogen, 2-((6-((4-Chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)benzoic acid, chromium complex (2:1), disodium salt, Chromate(3-), bis(2-(2-(6-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)benzoato(3-)-kappaO)-, sodium hydrogen (1:2:1), Chromate(3-), bis[2-[[6-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]benzoato(3-)]-, disodium hydrogen, Disodium hydrogen bis(2-((6-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)benzoato(3-))chromate(3-)
| Molecular Formula | C42H25Cl2CrN12Na2O14S2 |
|---|---|
| Molecular Weight | 1152.96 g/mol |
| LogP | -1.508 |
| Topological Polar Surface Area | 427.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 10 |
| Exact Mass | 1152.9633 |
| Heavy Atoms | 75 |
| Complexity | 889.0 |
Chemical Identifiers
| CAS Number | 70788-62-4 |
|---|---|
| SMILES | [H+].COC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=CC=CC=C4C(=O)[O-])S(=O)(=O)[O-])Cl.COC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=CC=CC=C4C(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Cr+3] |
| InChIKey | XDEIRYCOKSRFES-UHFFFAOYSA-I |
Product Overview
RefChem:576653 (CAS 70788-62-4), with molecular formula C42H25Cl2CrN12Na2O14S2 and molecular weight 1152.96 g/mol. IUPAC: disodium;bis(2-[[6-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-1-oxido-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate);chromium(3+);hydron.
Chemical Property Profile of RefChem:576653
Property Insights of RefChem:576653
The XLogP value of -1.508 indicates that RefChem:576653 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 427.0 Ų indicates high polarity, suggesting RefChem:576653 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576653 has 3 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:576653?
The CAS number of RefChem:576653 is 70788-62-4.
What is the molecular formula of RefChem:576653?
The molecular formula of RefChem:576653 is C42H25Cl2CrN12Na2O14S2.
What is the molecular weight of RefChem:576653?
The molecular weight of RefChem:576653 is 1152.96 g/mol.
Where can I buy RefChem:576653?
You can request a quote for RefChem:576653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576653?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.