![Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate structure](/static/products/1040/104007-10-5.webp)
Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate
TL;DR: Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate (CAS 104007-10-5) is a chemical compound with molecular formula C17H21NO6 and molecular weight 335.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate
Also Known As: diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate, 1,3-Diethyl 2-[[[4-(ethoxycarbonyl)phenyl]amino]methylene]propanedioate, diethyl 2-((4-(ethoxycarbonyl)phenylamino)methylene)malonate, Diethyl 2-(((4-(ethoxycarbonyl)phenyl)amino)methylene)malonate, Diethyl {[4-(ethoxycarbonyl)anilino]methylidene}propanedioate
| Molecular Formula | C17H21NO6 |
|---|---|
| Molecular Weight | 335.14 g/mol |
| LogP | 2.2853 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.1369 |
| Heavy Atoms | 24 |
| Complexity | 586.0117 |
Chemical Identifiers
| CAS Number | 104007-10-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC=C(C(=O)OCC)C(=O)OCC |
Product Overview
Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate (CAS 104007-10-5), with molecular formula C17H21NO6 and molecular weight 335.14 g/mol. IUPAC: diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate
Property Insights of Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate
The XLogP value of 2.2853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]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 Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate?
The CAS number of Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate is 104007-10-5.
What is the molecular formula of Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate?
The molecular formula of Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate is C17H21NO6.
What is the molecular weight of Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate?
The molecular weight of Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate is 335.14 g/mol.
Where can I buy Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate?
You can request a quote for Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(4-ethoxycarbonylanilino)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.