EINECS 273-463-1
TL;DR: EINECS 273-463-1 (CAS 68966-99-4) is a chemical compound with molecular formula C18H14CrN4O9S2 and molecular weight 545.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(2+);hydron;2-[[5-methyl-2-(2-methyl-4-sulfonatophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfonatobenzoate
Also Known As: Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, hydrogen, Chromate(1-), (2-(2-(4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-sulfobenzoato(4-)-kappaO)-, hydrogen (1:1), Chromate(1-), [2-[[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfobenzoato(4-)]-, hydrogen, Chromate(2-), [2-[[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfobenzoato(4-)]-, dihydrogen, Hydrogen (2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulpho-o-tolyl)-1H-pyrazol-4-yl)azo)-4-sulphobenzoato(4-))chromate(1-)
| Molecular Formula | C18H14CrN4O9S2 |
|---|---|
| Molecular Weight | 545.96 g/mol |
| LogP | 0.48 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 545.96075 |
| Heavy Atoms | 34 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 68966-99-4 |
|---|---|
| SMILES | [H+].CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=O)C(=C(N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])C(=O)[O-].[Cr+2] |
| InChIKey | JIWTZUHSWQGEJT-UHFFFAOYSA-L |
Product Overview
EINECS 273-463-1 (CAS 68966-99-4), with molecular formula C18H14CrN4O9S2 and molecular weight 545.96 g/mol. IUPAC: chromium(2+);hydron;2-[[5-methyl-2-(2-methyl-4-sulfonatophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfonatobenzoate.
Chemical Property Profile of EINECS 273-463-1
Property Insights of EINECS 273-463-1
The XLogP value of 0.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 273-463-1. The TPSA of 228.0 Ų indicates high polarity, suggesting EINECS 273-463-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 273-463-1 has 2 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 273-463-1?
The CAS number of EINECS 273-463-1 is 68966-99-4.
What is the molecular formula of EINECS 273-463-1?
The molecular formula of EINECS 273-463-1 is C18H14CrN4O9S2.
What is the molecular weight of EINECS 273-463-1?
The molecular weight of EINECS 273-463-1 is 545.96 g/mol.
Where can I buy EINECS 273-463-1?
You can request a quote for EINECS 273-463-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 273-463-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 273-463-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.