![(2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE structure](/static/products/799/799773-03-8.png)
(2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE
TL;DR: (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE (CAS 799773-03-8) is a chemical compound with molecular formula C23H21ClN4O3S and molecular weight 468.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-chlorophenyl)sulfonyl-3-(9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
Also Known As: (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE, (2E)-2-[(4-chlorophenyl)sulfonyl]-3-[9-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (E)-2-((4-chlorophenyl)sulfonyl)-3-(9-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile, (E)-2-(4-chlorophenyl)sulfonyl-3-(9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
| Molecular Formula | C23H21ClN4O3S |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 3.985 |
| Topological Polar Surface Area | 95.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.1023 |
| Heavy Atoms | 32 |
| Complexity | 1414.6024 |
Chemical Identifiers
| CAS Number | 799773-03-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Cl)N4CCCCC4 |
Product Overview
(2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE (CAS 799773-03-8), with molecular formula C23H21ClN4O3S and molecular weight 468.10 g/mol. IUPAC: (E)-2-(4-chlorophenyl)sulfonyl-3-(9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE
Property Insights of (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE
The XLogP value of 3.985 indicates that (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-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 95.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE. Following Lipinski's Rule of Five, (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE has 0 hydrogen bond donor(s) and 6 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-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
The CAS number of (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE is 799773-03-8.
What is the molecular formula of (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
The molecular formula of (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE is C23H21ClN4O3S.
What is the molecular weight of (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
The molecular weight of (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE is 468.10 g/mol.
Where can I buy (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
You can request a quote for (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-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-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[9-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-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.