![(E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile structure](/static/products/116/1164539-72-3.png)
(E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile
TL;DR: (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile (CAS 1164539-72-3) is a chemical compound with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
Also Known As: (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile, (2E)-2-(BENZENESULFONYL)-3-[2-(MORPHOLIN-4-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE, (2E)-3-[2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile, (E)-2-(benzenesulfonyl)-3-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
| Molecular Formula | C21H18N4O4S |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 1.86948 |
| Topological Polar Surface Area | 104.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.1049 |
| Heavy Atoms | 30 |
| Complexity | 1318.6089 |
Chemical Identifiers
| CAS Number | 1164539-72-3 |
|---|---|
| SMILES | C1COCCN1C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/S(=O)(=O)C4=CC=CC=C4 |
Product Overview
(E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile (CAS 1164539-72-3), with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-3-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile
Property Insights of (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile
The XLogP value of 1.86948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile. The TPSA of 104.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile 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)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile?
The CAS number of (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile is 1164539-72-3.
What is the molecular formula of (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile?
The molecular formula of (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile is C21H18N4O4S.
What is the molecular weight of (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile?
The molecular weight of (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile is 422.10 g/mol.
Where can I buy (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile?
You can request a quote for (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.