![[[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester structure](/static/products/390/39057-36-8.png)
[[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester
TL;DR: [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester (CAS 39057-36-8) is a chemical compound with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(3-methyl-1,2-oxazol-5-yl)amino]methylidene]propanedioate
Also Known As: diethyl 2-[(3-methylisoxazol-5-ylamino)methylene]malonate, [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester, diethyl 2-[[(3-methyl-1,2-oxazol-5-yl)amino]methylidene]propanedioate
| Molecular Formula | C12H16N2O5 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 1.40502 |
| Topological Polar Surface Area | 90.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.10593 |
| Heavy Atoms | 19 |
| Complexity | 458.2192 |
Chemical Identifiers
| CAS Number | 39057-36-8 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=NO1)C)C(=O)OCC |
Product Overview
[[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester (CAS 39057-36-8), with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol. IUPAC: diethyl 2-[[(3-methyl-1,2-oxazol-5-yl)amino]methylidene]propanedioate.
Chemical Property Profile of [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester
Property Insights of [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester
The XLogP value of 1.40502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester. The TPSA of 90.66 Ų falls within the moderate polarity range, balancing permeability and solubility for [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester. Following Lipinski's Rule of Five, [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester has 1 hydrogen bond donor(s) and 7 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 [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester?
The CAS number of [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester is 39057-36-8.
What is the molecular formula of [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester?
The molecular formula of [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester is C12H16N2O5.
What is the molecular weight of [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester?
The molecular weight of [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester is 268.11 g/mol.
Where can I buy [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester?
You can request a quote for [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for [[(3-Methyl-5-isoxazolyl)amino]methylene]malonic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.