![methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate structure](/static/products/620/620113-87-3.png)
methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
TL;DR: methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate (CAS 620113-87-3) is a chemical compound with molecular formula C20H14FN3O4 and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
Also Known As: methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate, (E)-methyl 2-cyano-3-(2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate, methyl (E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
| Molecular Formula | C20H14FN3O4 |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 3.0143 |
| Topological Polar Surface Area | 93.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.09683 |
| Heavy Atoms | 28 |
| Complexity | 1208.2769 |
Chemical Identifiers
| CAS Number | 620113-87-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)OC)OC3=CC=CC=C3F |
Product Overview
methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate (CAS 620113-87-3), with molecular formula C20H14FN3O4 and molecular weight 379.10 g/mol. IUPAC: methyl (E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate.
Chemical Property Profile of methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
Property Insights of methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
The XLogP value of 3.0143 indicates that methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-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 93.69 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate. Following Lipinski's Rule of Five, methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate 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 methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate?
The CAS number of methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate is 620113-87-3.
What is the molecular formula of methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate?
The molecular formula of methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate is C20H14FN3O4.
What is the molecular weight of methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate?
The molecular weight of methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate is 379.10 g/mol.
Where can I buy methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate?
You can request a quote for methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-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 methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-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.