Einecs 304-418-7
TL;DR: Einecs 304-418-7 (CAS 94266-13-4) is a chemical compound with molecular formula C26H24N4O6S and molecular weight 520.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid;pyridine
Also Known As: EINECS 304-418-7, (4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid; pyridine, 4-(3-(4-(Dimethylamino)phenyl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, compound with pyridine(1:1), 4-[3-[4-(dimethylamino)phenyl]allylidene]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, compound with pyridine (1:1)
| Molecular Formula | C26H24N4O6S |
|---|---|
| Molecular Weight | 520.14 g/mol |
| LogP | 3.5079 |
| Topological Polar Surface Area | 140.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.14166 |
| Heavy Atoms | 37 |
| Complexity | 1420.4581 |
Chemical Identifiers
| CAS Number | 94266-13-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O.C1=CC=NC=C1 |
Product Overview
Einecs 304-418-7 (CAS 94266-13-4), with molecular formula C26H24N4O6S and molecular weight 520.14 g/mol. IUPAC: (4Z)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid;pyridine.
Chemical Property Profile of Einecs 304-418-7
Property Insights of Einecs 304-418-7
The XLogP value of 3.5079 indicates that Einecs 304-418-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.47 Ų indicates high polarity, suggesting Einecs 304-418-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 304-418-7 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 304-418-7?
The CAS number of Einecs 304-418-7 is 94266-13-4.
What is the molecular formula of Einecs 304-418-7?
The molecular formula of Einecs 304-418-7 is C26H24N4O6S.
What is the molecular weight of Einecs 304-418-7?
The molecular weight of Einecs 304-418-7 is 520.14 g/mol.
Where can I buy Einecs 304-418-7?
You can request a quote for Einecs 304-418-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 304-418-7?
Yes, KEHONG BIO provides custom synthesis services for Einecs 304-418-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.