![1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate structure](/static/products/4010/40107-10-6.webp)
1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate
TL;DR: 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate (CAS 40107-10-6) is a chemical compound with molecular formula C14H16N2O6 and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3-nitroanilino)methylidene]propanedioate
Also Known As: Diethyl (3-nitrophenylaminomethylene)malonate, DIETHYL MALONATE, diethyl 2-[(3-nitroanilino)methylidene]propanedioate, diethyl m-nitroanilinomethylenemalonate, 1,3-diethyl 2-{[(3-nitrophenyl)amino]methylidene}propanedioate
| Molecular Formula | C14H16N2O6 |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 2.0168 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.10083 |
| Heavy Atoms | 22 |
| Complexity | 576.7508 |
Chemical Identifiers
| CAS Number | 40107-10-6 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCC |
Product Overview
1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate (CAS 40107-10-6), with molecular formula C14H16N2O6 and molecular weight 308.10 g/mol. IUPAC: diethyl 2-[(3-nitroanilino)methylidene]propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate
Property Insights of 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate
The XLogP value of 2.0168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate 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 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate?
The CAS number of 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate is 40107-10-6.
What is the molecular formula of 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate?
The molecular formula of 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate is C14H16N2O6.
What is the molecular weight of 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate?
The molecular weight of 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate is 308.10 g/mol.
Where can I buy 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate?
You can request a quote for 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-[[(3-nitrophenyl)amino]methylene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.