EINECS 258-294-3
TL;DR: EINECS 258-294-3 (CAS 53014-12-3) is a chemical compound with molecular formula C24H19N4Na3O8S2 and molecular weight 624.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[3-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]but-1-enyl]-5-oxidopyrazol-1-yl]benzenesulfonate
Also Known As: EINECS 258-294-3, Trisodium p-(4,5-dihydro-3-methyl-4-(1-methyl-3-(3-methyl-5-oxido-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)allylidene)-5-oxo-1H-pyrazol-1-yl)benzenesulphonate, trisodium 4-[3-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]but-1-enyl]-5-oxidopyrazol-1-yl]benzenesulfonate, Trisodium p-[4,5-dihydro-3-methyl-4-[1-methyl-3-[3-methyl-5-oxido-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]allylidene]-5-oxo-1H-pyrazol-1-yl]benzenesulphonate, trisodium,4-[3-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]but-1-enyl]-5-oxidopyrazol-1-yl]benzenesulfonate
| Molecular Formula | C24H19N4Na3O8S2 |
|---|---|
| Molecular Weight | 624.03 g/mol |
| LogP | -7.17308 |
| Topological Polar Surface Area | 187.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 624.03375 |
| Heavy Atoms | 41 |
| Complexity | 1765.9541 |
Chemical Identifiers
| CAS Number | 53014-12-3 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=C/C(=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C)/C)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
EINECS 258-294-3 (CAS 53014-12-3), with molecular formula C24H19N4Na3O8S2 and molecular weight 624.03 g/mol. IUPAC: trisodium;4-[3-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]but-1-enyl]-5-oxidopyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of EINECS 258-294-3
Property Insights of EINECS 258-294-3
The XLogP value of -7.17308 indicates that EINECS 258-294-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 187.95 Ų indicates high polarity, suggesting EINECS 258-294-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 258-294-3 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 258-294-3?
The CAS number of EINECS 258-294-3 is 53014-12-3.
What is the molecular formula of EINECS 258-294-3?
The molecular formula of EINECS 258-294-3 is C24H19N4Na3O8S2.
What is the molecular weight of EINECS 258-294-3?
The molecular weight of EINECS 258-294-3 is 624.03 g/mol.
Where can I buy EINECS 258-294-3?
You can request a quote for EINECS 258-294-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 258-294-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 258-294-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.