![(2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile structure](/static/products/799/799768-90-4.png)
(2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
TL;DR: (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile (CAS 799768-90-4) is a chemical compound with molecular formula C29H27N5O3S and molecular weight 525.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile, (E)-3-(2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile, (E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
| Molecular Formula | C29H27N5O3S |
|---|---|
| Molecular Weight | 525.18 g/mol |
| LogP | 3.6635 |
| Topological Polar Surface Area | 98.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 525.1835 |
| Heavy Atoms | 38 |
| Complexity | 1697.6556 |
Chemical Identifiers
| CAS Number | 799768-90-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)CC5=CC=CC=C5)/C#N |
Product Overview
(2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile (CAS 799768-90-4), with molecular formula C29H27N5O3S and molecular weight 525.18 g/mol. IUPAC: (E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
Property Insights of (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
The XLogP value of 3.6635 indicates that (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile?
The CAS number of (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile is 799768-90-4.
What is the molecular formula of (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile?
The molecular formula of (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile is C29H27N5O3S.
What is the molecular weight of (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile?
The molecular weight of (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile is 525.18 g/mol.
Where can I buy (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile?
You can request a quote for (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]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-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.