Einecs 277-338-2
TL;DR: Einecs 277-338-2 (CAS 73275-56-6) is a chemical compound with molecular formula C35H26CrN8NaO6 and molecular weight 729.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;chromium(3+);2-[[3-methyl-1-(2-methylphenyl)-5-oxidopyrazol-4-yl]diazenyl]benzoate;2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate
Also Known As: Chromate(1-), (2-(2-(4,5-dihydro-3-methyl-1-(3-methylphenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)benzoato(2-)-kappaO)(2-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)benzoato(2-)-kappaO)-, sodium (1:1), Chromate(1-), (o-((3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)benzoato(2-))(o-((3-methyl-5-oxo-1-m-tolyl-2-pyrazolin-4-yl)azo)benzoato(2-))-, sodium, Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(3-methylphenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)benzoato(2-)-kappaO)(2-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)benzoato(2-)-kappaO)-, hydrogen, Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(3-methylphenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)benzoato(2-)-kappaO)(2-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)benzoato(2-)-kappaO)-, sodium, Chromate(1-), [2-[[4,5-dihydro-3-methyl-1-(3-methylphenyl)-5-(oxo-.kappa.O)-1H-pyrazol-4-yl]azo-.kappa.N1]benzoato(2-)-.kappa.O][2-[(4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl)azo-.kappa.N1]benzoato(2-)-.kappa.O]-, sodium
| Molecular Formula | C35H26CrN8NaO6 |
|---|---|
| Molecular Weight | 729.13 g/mol |
| LogP | 1.37636 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 729.1278 |
| Heavy Atoms | 51 |
| Complexity | 956.0 |
Chemical Identifiers
| CAS Number | 73275-56-6 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C(C(=N2)C)N=NC3=CC=CC=C3C(=O)[O-])[O-].CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3] |
| InChIKey | IIPMMJXQQRHZKP-UHFFFAOYSA-J |
Product Overview
Einecs 277-338-2 (CAS 73275-56-6), with molecular formula C35H26CrN8NaO6 and molecular weight 729.13 g/mol. IUPAC: sodium;chromium(3+);2-[[3-methyl-1-(2-methylphenyl)-5-oxidopyrazol-4-yl]diazenyl]benzoate;2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate.
Chemical Property Profile of Einecs 277-338-2
Property Insights of Einecs 277-338-2
The XLogP value of 1.37636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 277-338-2. The TPSA of 211.0 Ų indicates high polarity, suggesting Einecs 277-338-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 277-338-2 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 277-338-2?
The CAS number of Einecs 277-338-2 is 73275-56-6.
What is the molecular formula of Einecs 277-338-2?
The molecular formula of Einecs 277-338-2 is C35H26CrN8NaO6.
What is the molecular weight of Einecs 277-338-2?
The molecular weight of Einecs 277-338-2 is 729.13 g/mol.
Where can I buy Einecs 277-338-2?
You can request a quote for Einecs 277-338-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 277-338-2?
Yes, KEHONG BIO provides custom synthesis services for Einecs 277-338-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.