![Diethyl 2-[(3,5-dimethylanilino)methylene]malonate structure](/static/products/935/93514-80-8.png)
Diethyl 2-[(3,5-dimethylanilino)methylene]malonate
TL;DR: Diethyl 2-[(3,5-dimethylanilino)methylene]malonate (CAS 93514-80-8) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3,5-dimethylanilino)methylidene]propanedioate
Also Known As: diethyl 2-[(3,5-dimethylanilino)methylene]malonate, 1,3-diethyl 2-{[(3,5-dimethylphenyl)amino]methylidene}propanedioate, 5J-028, diethyl 2-[(3,5-dimethylanilino)methylidene]propanedioate, Diethyl 2-(((3,5-dimethylphenyl)amino)methylene)malonate
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.72544 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 508.958 |
Chemical Identifiers
| CAS Number | 93514-80-8 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=CC(=C1)C)C)C(=O)OCC |
Product Overview
Diethyl 2-[(3,5-dimethylanilino)methylene]malonate (CAS 93514-80-8), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: diethyl 2-[(3,5-dimethylanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(3,5-dimethylanilino)methylene]malonate
Property Insights of Diethyl 2-[(3,5-dimethylanilino)methylene]malonate
The XLogP value of 2.72544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[(3,5-dimethylanilino)methylene]malonate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(3,5-dimethylanilino)methylene]malonate. Following Lipinski's Rule of Five, Diethyl 2-[(3,5-dimethylanilino)methylene]malonate 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
Frequently Asked Questions
What is the CAS number of Diethyl 2-[(3,5-dimethylanilino)methylene]malonate?
The CAS number of Diethyl 2-[(3,5-dimethylanilino)methylene]malonate is 93514-80-8.
What is the molecular formula of Diethyl 2-[(3,5-dimethylanilino)methylene]malonate?
The molecular formula of Diethyl 2-[(3,5-dimethylanilino)methylene]malonate is C16H21NO4.
What is the molecular weight of Diethyl 2-[(3,5-dimethylanilino)methylene]malonate?
The molecular weight of Diethyl 2-[(3,5-dimethylanilino)methylene]malonate is 291.15 g/mol.
Where can I buy Diethyl 2-[(3,5-dimethylanilino)methylene]malonate?
You can request a quote for Diethyl 2-[(3,5-dimethylanilino)methylene]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[(3,5-dimethylanilino)methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(3,5-dimethylanilino)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.