![methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate structure](/static/products/620/620536-80-3.png)
methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
TL;DR: methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate (CAS 620536-80-3) is a chemical compound with molecular formula C21H16ClN3O4 and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
Also Known As: methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate, (E)-methyl 3-(2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate, methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo(5-hydropyridino[1,2 -a]pyrimidin-3-yl)]-2-cyanoprop-2-enoate, methyl (E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
| Molecular Formula | C21H16ClN3O4 |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 3.83702 |
| Topological Polar Surface Area | 93.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.08295 |
| Heavy Atoms | 29 |
| Complexity | 1255.2415 |
Chemical Identifiers
| CAS Number | 620536-80-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)OC)OC3=CC(=C(C=C3)Cl)C |
Product Overview
methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate (CAS 620536-80-3), with molecular formula C21H16ClN3O4 and molecular weight 409.08 g/mol. IUPAC: methyl (E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate.
Chemical Property Profile of methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
Property Insights of methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
The XLogP value of 3.83702 indicates that methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-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)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-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)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate?
The CAS number of methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate is 620536-80-3.
What is the molecular formula of methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate?
The molecular formula of methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate is C21H16ClN3O4.
What is the molecular weight of methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate?
The molecular weight of methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate is 409.08 g/mol.
Where can I buy methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate?
You can request a quote for methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-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)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.