![(5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile structure](/static/products/368/368889-87-6.png)
(5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile
TL;DR: (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile (CAS 368889-87-6) is a chemical compound with molecular formula C20H19BrN2O4S and molecular weight 462.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile
Also Known As: (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C20H19BrN2O4S |
|---|---|
| Molecular Weight | 462.02 g/mol |
| LogP | 3.91608 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.0249 |
| Heavy Atoms | 28 |
| Complexity | 897.77594 |
Chemical Identifiers
| CAS Number | 368889-87-6 |
|---|---|
| SMILES | CCO/C(=C/1\C(C(=C(NC1=O)SCC(=O)C2CC2)C#N)C3=CC=C(C=C3)Br)/O |
Product Overview
(5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile (CAS 368889-87-6), with molecular formula C20H19BrN2O4S and molecular weight 462.02 g/mol. IUPAC: (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile
Property Insights of (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile
The XLogP value of 3.91608 indicates that (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile?
The CAS number of (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile is 368889-87-6.
What is the molecular formula of (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile?
The molecular formula of (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile is C20H19BrN2O4S.
What is the molecular weight of (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile?
The molecular weight of (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile is 462.02 g/mol.
Where can I buy (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile?
You can request a quote for (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5E)-4-(4-bromophenyl)-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-5-[ethoxy(hydroxy)methylidene]-6-oxo-1,4-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.