![(2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile structure](/static/products/796/796879-33-9.png)
(2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile
TL;DR: (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile (CAS 796879-33-9) is a chemical compound with molecular formula C23H23N5O3S and molecular weight 449.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-[2-(4-ethylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Also Known As: (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile, (E)-2-(benzenesulfonyl)-3-[2-(4-ethylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (E)-2-Benzenesulfonyl-3-[2-(4-ethyl-piperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-acrylonitrile, (E)-3-(2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile
| Molecular Formula | C23H23N5O3S |
|---|---|
| Molecular Weight | 449.15 g/mol |
| LogP | 2.17478 |
| Topological Polar Surface Area | 98.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.15216 |
| Heavy Atoms | 32 |
| Complexity | 1366.2476 |
Chemical Identifiers
| CAS Number | 796879-33-9 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/S(=O)(=O)C4=CC=CC=C4 |
Product Overview
(2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile (CAS 796879-33-9), with molecular formula C23H23N5O3S and molecular weight 449.15 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-3-[2-(4-ethylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Property Insights of (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile
The XLogP value of 2.17478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile. The TPSA of 98.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 7 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-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile?
The CAS number of (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile is 796879-33-9.
What is the molecular formula of (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile?
The molecular formula of (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile is C23H23N5O3S.
What is the molecular weight of (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile?
The molecular weight of (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile is 449.15 g/mol.
Where can I buy (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile?
You can request a quote for (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)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-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.