EINECS 290-098-3
TL;DR: EINECS 290-098-3 (CAS 90066-12-9) is a chemical compound with molecular formula C29H27N5Na4O12S2 and molecular weight 793.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;(4Z)-4-[(E)-3-[5-carboxylato-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(4-sulfonatophenyl)pyrazole-3-carboxylate;N,N-diethylethanamine
Also Known As: EINECS 290-098-3, 1H-Pyrazole-3-carboxylic acid, 4-(3-(3-carboxy-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2-propen-1-ylidene)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt, compd. with N,N-diethylethanamine (1:?:?), 1H-Pyrazole-3-carboxylic acid, 4-[3-[3-carboxy-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propenylidene]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt, compd. with N,N-diethylethanamine, 4-(3-(3-Carboxy-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2-propenylidene)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid, sodium and triethylamine salts, 4-(3-(3-Carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt, compound with triethylamine
| Molecular Formula | C29H27N5Na4O12S2 |
|---|---|
| Molecular Weight | 793.07 g/mol |
| LogP | -13.2063 |
| Topological Polar Surface Area | 268.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 793.06885 |
| Heavy Atoms | 52 |
| Complexity | 2088.8684 |
Chemical Identifiers
| CAS Number | 90066-12-9 |
|---|---|
| SMILES | CCN(CC)CC.C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)[O-])/C=C/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
Product Overview
EINECS 290-098-3 (CAS 90066-12-9), with molecular formula C29H27N5Na4O12S2 and molecular weight 793.07 g/mol. IUPAC: tetrasodium;(4Z)-4-[(E)-3-[5-carboxylato-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(4-sulfonatophenyl)pyrazole-3-carboxylate;N,N-diethylethanamine.
Chemical Property Profile of EINECS 290-098-3
Property Insights of EINECS 290-098-3
The XLogP value of -13.2063 indicates that EINECS 290-098-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 268.36 Ų indicates high polarity, suggesting EINECS 290-098-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 290-098-3 has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 290-098-3?
The CAS number of EINECS 290-098-3 is 90066-12-9.
What is the molecular formula of EINECS 290-098-3?
The molecular formula of EINECS 290-098-3 is C29H27N5Na4O12S2.
What is the molecular weight of EINECS 290-098-3?
The molecular weight of EINECS 290-098-3 is 793.07 g/mol.
Where can I buy EINECS 290-098-3?
You can request a quote for EINECS 290-098-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 290-098-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 290-098-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.