![ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate structure](/static/products/620/620111-98-0.png)
ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
TL;DR: ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate (CAS 620111-98-0) is a chemical compound with molecular formula C22H19N3O5 and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
Also Known As: ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate, (E)-ethyl 2-cyano-3-(2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate, ethyl (E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
| Molecular Formula | C22H19N3O5 |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.2739 |
| Topological Polar Surface Area | 102.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.13248 |
| Heavy Atoms | 30 |
| Complexity | 1220.482 |
Chemical Identifiers
| CAS Number | 620111-98-0 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=C(N=C2C(=CC=CN2C1=O)C)OC3=CC=C(C=C3)OC)/C#N |
Product Overview
ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate (CAS 620111-98-0), with molecular formula C22H19N3O5 and molecular weight 405.13 g/mol. IUPAC: ethyl (E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate.
Chemical Property Profile of ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
Property Insights of ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
The XLogP value of 3.2739 indicates that ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate. Following Lipinski's Rule of Five, ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate 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 ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate?
The CAS number of ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate is 620111-98-0.
What is the molecular formula of ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate?
The molecular formula of ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate is C22H19N3O5.
What is the molecular weight of ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate?
The molecular weight of ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate is 405.13 g/mol.
Where can I buy ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate?
You can request a quote for ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.