![(2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE structure](/static/products/620/620536-71-2.png)
(2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE
TL;DR: (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE (CAS 620536-71-2) is a chemical compound with molecular formula C25H18FN3O4S and molecular weight 475.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-(2-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE, (2E)-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile, (E)-3-(2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile, (E)-3-[2-(2-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
| Molecular Formula | C25H18FN3O4S |
|---|---|
| Molecular Weight | 475.10 g/mol |
| LogP | 4.58112 |
| Topological Polar Surface Area | 101.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.10022 |
| Heavy Atoms | 34 |
| Complexity | 1650.8811 |
Chemical Identifiers
| CAS Number | 620536-71-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)OC4=CC=CC=C4F)/C#N |
Product Overview
(2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE (CAS 620536-71-2), with molecular formula C25H18FN3O4S and molecular weight 475.10 g/mol. IUPAC: (E)-3-[2-(2-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE
Property Insights of (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE
The XLogP value of 4.58112 indicates that (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE. Following Lipinski's Rule of Five, (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE has 0 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 (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE?
The CAS number of (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE is 620536-71-2.
What is the molecular formula of (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE?
The molecular formula of (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE is C25H18FN3O4S.
What is the molecular weight of (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE?
The molecular weight of (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE is 475.10 g/mol.
Where can I buy (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE?
You can request a quote for (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[2-(2-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.