![Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate structure](/static/products/4778/477888-63-4.webp)
Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate
TL;DR: Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate (CAS 477888-63-4) is a chemical compound with molecular formula C24H30N2O4 and molecular weight 410.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate
Also Known As: Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxo-butanoate, methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate, methyl (Z)-2-acetyl-3-{2-[4-(octyloxy)phenyl]-4-pyrimidinyl}-2-propenoate
| Molecular Formula | C24H30N2O4 |
|---|---|
| Molecular Weight | 410.22 g/mol |
| LogP | 5.0283 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 410.22055 |
| Heavy Atoms | 30 |
| Complexity | 859.7646 |
Chemical Identifiers
| CAS Number | 477888-63-4 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C=C(C(=O)C)C(=O)OC |
Product Overview
Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate (CAS 477888-63-4), with molecular formula C24H30N2O4 and molecular weight 410.22 g/mol. IUPAC: methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate.
Chemical Property Profile of Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate
Property Insights of Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate
The XLogP value of 5.0283 indicates that Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate. Following Lipinski's Rule of Five, Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate?
The CAS number of Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate is 477888-63-4.
What is the molecular formula of Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate?
The molecular formula of Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate is C24H30N2O4.
What is the molecular weight of Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate?
The molecular weight of Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate is 410.22 g/mol.
Where can I buy Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate?
You can request a quote for Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.