![(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile structure](/static/products/799/799776-97-9.png)
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
TL;DR: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile (CAS 799776-97-9) is a chemical compound with molecular formula C23H20N6OS and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Also Known As: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (2E)-2-benzothiazol-2-yl-3-[2-(4-methylpiperazinyl)-4-oxo(5-hydropyridino[1,2- a]pyrimidin-3-yl)]prop-2-enenitrile, (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (E)-2-(benzo[d]thiazol-2-yl)-3-(2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile
| Molecular Formula | C23H20N6OS |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 3.12018 |
| Topological Polar Surface Area | 77.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.14194 |
| Heavy Atoms | 31 |
| Complexity | 1372.1226 |
Chemical Identifiers
| CAS Number | 799776-97-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C4=NC5=CC=CC=C5S4 |
Product Overview
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile (CAS 799776-97-9), with molecular formula C23H20N6OS and molecular weight 428.14 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Property Insights of (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
The XLogP value of 3.12018 indicates that (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is 799776-97-9.
What is the molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is C23H20N6OS.
What is the molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is 428.14 g/mol.
Where can I buy (2E)-2-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-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.