EINECS 274-908-2
TL;DR: EINECS 274-908-2 (CAS 70815-17-7) is a chemical compound with molecular formula C32H20CrN8O11S- and molecular weight 776.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);3-(dioxidoamino)-6-oxo-5-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]cyclohexa-1,3-diene-1-sulfonate;hydron;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
Also Known As: Chromate(2-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-5-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(2-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-5-nitrobenzenesulfonato(3-))-, sodium hydrogen, Chromate(2-), (2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(2-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-5-nitrobenzenesulfonato(3-))-, sodium hydrogen (1:1:1), Chromate(2-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][2-hydroxy-3-[(2-hydroxy-1-naphthalenyl)azo]-5-nitrobenzenesulfonato(3-)]-, sodium hydrogen, Chromate(2-), [2,4-dihydro-4-[[2-(hydroxy-.kappa.O)-5-nitrophenyl]azo-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3][2-(hydroxy-.kappa.O)-3-[[2-(hydroxy-.kappa.O)-1-naphthalenyl]azo-.kappa.N1]-5-nitrobenzenesulfonato(3-)]-, sodium hydrogen, chromium(3+); 3-(dioxidoamino)-6-oxo-5-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]cyclohexa-1,3-diene-1-sulfonate; hydron; 5-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-2-phenylpyrazol-3-olate
| Molecular Formula | C32H20CrN8O11S- |
|---|---|
| Molecular Weight | 776.04 g/mol |
| LogP | 3.38242 |
| Topological Polar Surface Area | 308.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 4 |
| Exact Mass | 776.0377 |
| Heavy Atoms | 53 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 70815-17-7 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=C(C=C(C3=O)S(=O)(=O)[O-])N([O-])[O-].[Cr+3] |
| InChIKey | HOCFVFUTYBHASL-UHFFFAOYSA-L |
Product Overview
EINECS 274-908-2 (CAS 70815-17-7), with molecular formula C32H20CrN8O11S- and molecular weight 776.04 g/mol. IUPAC: chromium(3+);3-(dioxidoamino)-6-oxo-5-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]cyclohexa-1,3-diene-1-sulfonate;hydron;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate.
Chemical Property Profile of EINECS 274-908-2
Property Insights of EINECS 274-908-2
The XLogP value of 3.38242 indicates that EINECS 274-908-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 308.0 Ų indicates high polarity, suggesting EINECS 274-908-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 274-908-2 has 1 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 274-908-2?
The CAS number of EINECS 274-908-2 is 70815-17-7.
What is the molecular formula of EINECS 274-908-2?
The molecular formula of EINECS 274-908-2 is C32H20CrN8O11S-.
What is the molecular weight of EINECS 274-908-2?
The molecular weight of EINECS 274-908-2 is 776.04 g/mol.
Where can I buy EINECS 274-908-2?
You can request a quote for EINECS 274-908-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 274-908-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 274-908-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.