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Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate
TL;DR: Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate (CAS 26717-39-5) is a chemical compound with molecular formula C16H21NO6 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate
Also Known As: BIM-0044890.P001, diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate, 1,3-DIETHYL 2-{[(3,4-DIMETHOXYPHENYL)AMINO]METHYLIDENE}PROPANEDIOATE, diethyl 2-[(3,4-dimethoxyphenylamino)methylene]malonate, 2-[(3,4-Dimethoxy-phenylamino)-methylene]-malonic acid diethyl ester
| Molecular Formula | C16H21NO6 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 2.1258 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.1369 |
| Heavy Atoms | 23 |
| Complexity | 561.9332 |
Chemical Identifiers
| CAS Number | 26717-39-5 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=C(C=C1)OC)OC)C(=O)OCC |
Product Overview
Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate (CAS 26717-39-5), with molecular formula C16H21NO6 and molecular weight 323.14 g/mol. IUPAC: diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate
Property Insights of Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate
The XLogP value of 2.1258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-[(3,4-dimethoxyanilino)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-[(3,4-dimethoxyanilino)methylidene]propanedioate?
The CAS number of Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate is 26717-39-5.
What is the molecular formula of Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate?
The molecular formula of Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate is C16H21NO6.
What is the molecular weight of Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate?
The molecular weight of Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate is 323.14 g/mol.
Where can I buy Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate?
You can request a quote for Diethyl 2-[(3,4-dimethoxyanilino)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-[(3,4-dimethoxyanilino)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(3,4-dimethoxyanilino)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.