![(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide structure](/static/products/620/620113-70-4.png)
(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
TL;DR: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide (CAS 620113-70-4) is a chemical compound with molecular formula C23H19FN4O5S and molecular weight 482.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Also Known As: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide, (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide, (2E)-2-CYANO-N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-3-[2-(4-FLUOROPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[12-A]PYRIMIDIN-3-YL]PROP-2-ENAMIDE, (E)-2-cyano-N-(1,1-diketothiolan-3-yl)-3-[2-(4-fluorophenoxy)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]acrylamide, (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylamide
| Molecular Formula | C23H19FN4O5S |
|---|---|
| Molecular Weight | 482.11 g/mol |
| LogP | 2.1446 |
| Topological Polar Surface Area | 130.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.10602 |
| Heavy Atoms | 34 |
| Complexity | 1521.9313 |
Chemical Identifiers
| CAS Number | 620113-70-4 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC3CCS(=O)(=O)C3)OC4=CC=C(C=C4)F |
Product Overview
(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide (CAS 620113-70-4), with molecular formula C23H19FN4O5S and molecular weight 482.11 g/mol. IUPAC: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Property Insights of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
The XLogP value of 2.1446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide. The TPSA of 130.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide has 1 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)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide?
The CAS number of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide is 620113-70-4.
What is the molecular formula of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide?
The molecular formula of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide is C23H19FN4O5S.
What is the molecular weight of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide?
The molecular weight of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide is 482.11 g/mol.
Where can I buy (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide?
You can request a quote for (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.