Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate
TL;DR: Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate (CAS 100944-55-6) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.1001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate
Also Known As: methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate, Methyl (5-benzyl-2-oxomorpholin-3-ylidene)acetate, methyl 2-(5-benzyl-2-oxo-1,4-oxazinan-3-yliden)acetate, Acetic acid, [2-oxo-5-(phenylmethyl)-3-morpholinylidene]-, methyl ester, Methyl 2-(5-benzyl-2-oxo-morpholin-3-ylidene)acetate
Technical Specifications
| Molecular Formula | C14H15NO4 |
| Molecular Weight | 261.1001 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1001 Da |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
| SMILES | COC(=O)C=C1C(=O)OCC(N1)CC2=CC=CC=C2 |
| InChIKey | WUIPHQPYGMFCRH-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate
Property Insights of Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate. Following Lipinski's Rule of Five, Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate?
The CAS number of Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate is 100944-55-6.
What is the molecular formula of Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate?
The molecular formula of Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate is C14H15NO4.
What is the molecular weight of Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate?
The molecular weight of Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate is 261.1001 g/mol.
Where can I buy Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate?
You can request a quote for Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.