![(2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide structure](/static/products/620/620108-60-3.png)
(2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide
TL;DR: (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide (CAS 620108-60-3) is a chemical compound with molecular formula C28H32N4O4 and molecular weight 488.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl)prop-2-enamide
Also Known As: (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide, (E)-2-cyano-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl)prop-2-enamide, (E)-2-cyano-N-(3-isopropoxypropyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylamide
| Molecular Formula | C28H32N4O4 |
|---|---|
| Molecular Weight | 488.24 g/mol |
| LogP | 4.7569 |
| Topological Polar Surface Area | 105.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 488.24237 |
| Heavy Atoms | 36 |
| Complexity | 1366.2028 |
Chemical Identifiers
| CAS Number | 620108-60-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NCCCOC(C)C |
Product Overview
(2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide (CAS 620108-60-3), with molecular formula C28H32N4O4 and molecular weight 488.24 g/mol. IUPAC: (E)-2-cyano-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl)prop-2-enamide.
Chemical Property Profile of (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide
Property Insights of (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide
The XLogP value of 4.7569 indicates that (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide has 1 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-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide?
The CAS number of (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide is 620108-60-3.
What is the molecular formula of (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide?
The molecular formula of (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide is C28H32N4O4.
What is the molecular weight of (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide?
The molecular weight of (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide is 488.24 g/mol.
Where can I buy (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide?
You can request a quote for (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]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 (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.