![(E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile structure](/static/products/620/620105-69-3.png)
(E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile
TL;DR: (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile (CAS 620105-69-3) is a chemical compound with molecular formula C25H19N3O4S and molecular weight 457.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-(4-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile, (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE, (2E)-3-[2-(4-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile, (E)-3-[2-(4-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
| Molecular Formula | C25H19N3O4S |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 4.44202 |
| Topological Polar Surface Area | 101.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.10962 |
| Heavy Atoms | 33 |
| Complexity | 1578.5223 |
Chemical Identifiers
| CAS Number | 620105-69-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/S(=O)(=O)C4=CC=C(C=C4)C |
Product Overview
(E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile (CAS 620105-69-3), with molecular formula C25H19N3O4S and molecular weight 457.11 g/mol. IUPAC: (E)-3-[2-(4-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile
Property Insights of (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile
The XLogP value of 4.44202 indicates that (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile 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 (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile. Following Lipinski's Rule of Five, (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile 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 (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile?
The CAS number of (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile is 620105-69-3.
What is the molecular formula of (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile?
The molecular formula of (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile is C25H19N3O4S.
What is the molecular weight of (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile?
The molecular weight of (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile is 457.11 g/mol.
Where can I buy (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile?
You can request a quote for (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-oxo-2-(p-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.