Solvent Yellow 13
TL;DR: Solvent Yellow 13 (CAS 72479-91-5) is a chemical compound with molecular formula C54H67CrN10O12S2 and molecular weight 1163.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butylbutan-1-amine;chromium(3+);N-cyclohexylcyclohexanamine;hydron;bis(2-[[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate)
Also Known As: Solvent Yellow 13, C.I. Solvent Yellow 13, N-butylbutan-1-amine;chromium(3+);N-cyclohexylcyclohexanamine;hydron;2-[[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate, Chromate(3-), bis(2-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl-kappaN1)benzoato(3-)-kappaO)-, hydrogen, compd. with N-butyl-1-butanamine and N-cyclohexylcyclohexanamine (1:3:?:?), Chromate(3-), bis[2-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo-.kappa.N1]benzoato(3-)-.kappa.O]-, trihydrogen, compd. with N-butyl-1-butanamine and N-cyclohexylcyclohexanamine
| Molecular Formula | C54H67CrN10O12S2 |
|---|---|
| Molecular Weight | 1163.38 g/mol |
| LogP | 7.62724 |
| Topological Polar Surface Area | 367.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Exact Mass | 1163.3787 |
| Heavy Atoms | 79 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 72479-91-5 |
|---|---|
| SMILES | [H+].[H+].[H+].CCCCNCCCC.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].C1CCC(CC1)NC2CCCCC2.[Cr+3] |
| InChIKey | RYAITQYWGNYISA-UHFFFAOYSA-K |
Product Overview
Solvent Yellow 13 (CAS 72479-91-5), with molecular formula C54H67CrN10O12S2 and molecular weight 1163.38 g/mol. IUPAC: N-butylbutan-1-amine;chromium(3+);N-cyclohexylcyclohexanamine;hydron;bis(2-[[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate).
Chemical Property Profile of Solvent Yellow 13
Property Insights of Solvent Yellow 13
The XLogP value of 7.62724 indicates that Solvent Yellow 13 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 367.0 Ų indicates high polarity, suggesting Solvent Yellow 13 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Solvent Yellow 13 has 5 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Solvent Yellow 13?
The CAS number of Solvent Yellow 13 is 72479-91-5.
What is the molecular formula of Solvent Yellow 13?
The molecular formula of Solvent Yellow 13 is C54H67CrN10O12S2.
What is the molecular weight of Solvent Yellow 13?
The molecular weight of Solvent Yellow 13 is 1163.38 g/mol.
Where can I buy Solvent Yellow 13?
You can request a quote for Solvent Yellow 13 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Solvent Yellow 13?
Yes, KEHONG BIO provides custom synthesis services for Solvent Yellow 13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.