EINECS 276-709-6
TL;DR: EINECS 276-709-6 (CAS 72509-81-0) is a chemical compound with molecular formula C32H24Cl2CrN9O6S and molecular weight 784.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-chloro-2-oxidophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-olate;4-[(5-chloro-2-oxidophenyl)diazenyl]-3-methyl-1-(3-sulfamoylphenyl)pyrazol-5-olate;chromium(3+);hydron
Also Known As: Chromate(1-), (3-(4-((5-chloro-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonamidato(2-))(4-((5-chloro-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen, Chromate(1-), (3-(4-((5-chloro-2-hydroxyphenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonamidato(2-))(4-((5-chloro-2-hydroxyphenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, hydrogen, Chromate(1-), [3-[4-[[5-chloro-2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-1-yl]benzenesulfonamidato(2-)][4-[[5-chloro-2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogen, 4-[(5-chloro-2-oxidophenyl)diazenyl]-5-methyl-2-phenylpyrazol-3-olate; 4-[(5-chloro-2-oxidophenyl)diazenyl]-5-methyl-2-(3-sulfamoylphenyl)pyrazol-3-olate; chromium(3+); hydron, Chromate(1-), (3-(4-(2-(5-chloro-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonamidato(2-))(4-(2-(5-chloro-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:1)
| Molecular Formula | C32H24Cl2CrN9O6S |
|---|---|
| Molecular Weight | 784.04 g/mol |
| LogP | 5.55084 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 784.0352 |
| Heavy Atoms | 51 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 72509-81-0 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)Cl)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)Cl)[O-])[O-])C3=CC(=CC=C3)S(=O)(=O)N.[Cr+3] |
| InChIKey | UKQBAUYPQYOASK-UHFFFAOYSA-K |
Product Overview
EINECS 276-709-6 (CAS 72509-81-0), with molecular formula C32H24Cl2CrN9O6S and molecular weight 784.04 g/mol. IUPAC: 4-[(5-chloro-2-oxidophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-olate;4-[(5-chloro-2-oxidophenyl)diazenyl]-3-methyl-1-(3-sulfamoylphenyl)pyrazol-5-olate;chromium(3+);hydron.
Chemical Property Profile of EINECS 276-709-6
Property Insights of EINECS 276-709-6
The XLogP value of 5.55084 indicates that EINECS 276-709-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 246.0 Ų indicates high polarity, suggesting EINECS 276-709-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 276-709-6 has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 276-709-6?
The CAS number of EINECS 276-709-6 is 72509-81-0.
What is the molecular formula of EINECS 276-709-6?
The molecular formula of EINECS 276-709-6 is C32H24Cl2CrN9O6S.
What is the molecular weight of EINECS 276-709-6?
The molecular weight of EINECS 276-709-6 is 784.04 g/mol.
Where can I buy EINECS 276-709-6?
You can request a quote for EINECS 276-709-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 276-709-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 276-709-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.