![(2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE structure](/static/products/116/1164539-67-6.png)
(2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE
TL;DR: (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE (CAS 1164539-67-6) 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-(4-methylphenyl)sulfonyl-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Also Known As: (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE, (2E)-2-[(4-methylbenzene)sulfonyl]-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (2E)-2-[(4-methylphenyl)sulfonyl]-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (E)-2-(4-methylphenyl)sulfonyl-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (E)-3-(2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile
| Molecular Formula | C23H23N5O3S |
|---|---|
| Molecular Weight | 449.15 g/mol |
| LogP | 2.0931 |
| Topological Polar Surface Area | 98.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.15216 |
| Heavy Atoms | 32 |
| Complexity | 1394.3029 |
Chemical Identifiers
| CAS Number | 1164539-67-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)C)/C#N |
Product Overview
(2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE (CAS 1164539-67-6), with molecular formula C23H23N5O3S and molecular weight 449.15 g/mol. IUPAC: (E)-2-(4-methylphenyl)sulfonyl-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE
Property Insights of (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE
The XLogP value of 2.0931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[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 (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE. Following Lipinski's Rule of Five, (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[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 (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
The CAS number of (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE is 1164539-67-6.
What is the molecular formula of (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
The molecular formula of (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE is C23H23N5O3S.
What is the molecular weight of (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
The molecular weight of (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE is 449.15 g/mol.
Where can I buy (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
You can request a quote for (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[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 (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(4-METHYLBENZENESULFONYL)-3-[2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.