2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate
TL;DR: 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate (CAS 85677-91-4) is a chemical compound with molecular formula C14H15NO6 and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
Also Known As: methylene]acetoacetate, Nitrendipine impurity 20, Nitrendipine Impurity 45, 2-Methoxyethyl 2-(3-nitrobenzylidene)-3-oxobutanoate, 2-Methoxyethyl 2-(3-Nitrobenzylidene)-3-oxobutyrate
| Molecular Formula | C14H15NO6 |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 1.7568 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 293.08994 |
| Heavy Atoms | 21 |
| Complexity | 578.5819 |
Chemical Identifiers
| CAS Number | 85677-91-4 |
|---|---|
| SMILES | CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCOC |
Product Overview
2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate (CAS 85677-91-4), with molecular formula C14H15NO6 and molecular weight 293.09 g/mol. IUPAC: 2-methoxyethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate.
Chemical Property Profile of 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate
Property Insights of 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate
The XLogP value of 1.7568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate. Following Lipinski's Rule of Five, 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate 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 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate?
The CAS number of 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate is 85677-91-4.
What is the molecular formula of 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate?
The molecular formula of 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate is C14H15NO6.
What is the molecular weight of 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate?
The molecular weight of 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate is 293.09 g/mol.
Where can I buy 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate?
You can request a quote for 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.