![(E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile structure](/static/products/796/796876-79-4.png)
(E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
TL;DR: (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile (CAS 796876-79-4) is a chemical compound with molecular formula C22H21N5O3S and molecular weight 435.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Also Known As: (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (2E)-2-(BENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE, (2E)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile, (E)-2-Benzenesulfonyl-3-[2-(4-methyl-piperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-acrylonitrile, (E)-3-(2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile
| Molecular Formula | C22H21N5O3S |
|---|---|
| Molecular Weight | 435.14 g/mol |
| LogP | 1.78468 |
| Topological Polar Surface Area | 98.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.1365 |
| Heavy Atoms | 31 |
| Complexity | 1349.3971 |
Chemical Identifiers
| CAS Number | 796876-79-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/S(=O)(=O)C4=CC=CC=C4 |
Product Overview
(E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile (CAS 796876-79-4), with molecular formula C22H21N5O3S and molecular weight 435.14 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Property Insights of (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
The XLogP value of 1.78468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile. The TPSA of 98.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]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 (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile?
The CAS number of (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is 796876-79-4.
What is the molecular formula of (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile?
The molecular formula of (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is C22H21N5O3S.
What is the molecular weight of (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile?
The molecular weight of (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is 435.14 g/mol.
Where can I buy (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile?
You can request a quote for (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]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 (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(benzenesulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.