EINECS 277-197-7
TL;DR: EINECS 277-197-7 (CAS 73003-33-5) is a chemical compound with molecular formula C36H26CrN9O9S and molecular weight 812.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);hydron;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate;4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate
Also Known As: Chromate(2-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-4-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(4-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-, dihydrogen, Chromate(2-), (2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(4-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-, hydrogen (1:2), Chromate(2-), [2,4-dihydro-4-[[2-(hydroxy-.kappa.O)-4-nitrophenyl]azo-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3][4-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-1-naphthalenesulfonato(3-)]-, dihydrogen, Chromate(2-), (2,4-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxy-1-naphthalenesulfonato(3-))-, dihydrogen, Chromate(2-), [2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-, dihydrogen
| Molecular Formula | C36H26CrN9O9S |
|---|---|
| Molecular Weight | 812.10 g/mol |
| LogP | 5.67464 |
| Topological Polar Surface Area | 289.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 812.0979 |
| Heavy Atoms | 56 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 73003-33-5 |
|---|---|
| SMILES | [H+].[H+].CC1=NN(C(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.[Cr+3] |
| InChIKey | XXWGALZQMLZTIY-UHFFFAOYSA-K |
Product Overview
EINECS 277-197-7 (CAS 73003-33-5), with molecular formula C36H26CrN9O9S and molecular weight 812.10 g/mol. IUPAC: chromium(3+);hydron;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate;4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate.
Chemical Property Profile of EINECS 277-197-7
Property Insights of EINECS 277-197-7
The XLogP value of 5.67464 indicates that EINECS 277-197-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 289.0 Ų indicates high polarity, suggesting EINECS 277-197-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 277-197-7 has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 277-197-7?
The CAS number of EINECS 277-197-7 is 73003-33-5.
What is the molecular formula of EINECS 277-197-7?
The molecular formula of EINECS 277-197-7 is C36H26CrN9O9S.
What is the molecular weight of EINECS 277-197-7?
The molecular weight of EINECS 277-197-7 is 812.10 g/mol.
Where can I buy EINECS 277-197-7?
You can request a quote for EINECS 277-197-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 277-197-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 277-197-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.