![Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate structure](/static/products/6097/6097-22-9.webp)
Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate
TL;DR: Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate (CAS 6097-22-9) 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-[(3,5-dimethoxyanilino)methylidene]propanedioate
Also Known As: BIM-0045332.P001, AB00102496-01, diethyl {[(3,5-dimethoxyphenyl)amino]methylene}malonate, diethyl 2-[(3,5-dimethoxyanilino)methylidene]propanedioate, diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate
| 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 | 539.6832 |
Chemical Identifiers
| CAS Number | 6097-22-9 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=CC(=C1)OC)OC)C(=O)OCC |
Product Overview
Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate (CAS 6097-22-9), with molecular formula C16H21NO6 and molecular weight 323.14 g/mol. IUPAC: diethyl 2-[(3,5-dimethoxyanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate
Property Insights of Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate
The XLogP value of 2.1258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate. Following Lipinski's Rule of Five, Diethyl {[(3,5-dimethoxyphenyl)amino]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 {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate?
The CAS number of Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate is 6097-22-9.
What is the molecular formula of Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate?
The molecular formula of Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate is C16H21NO6.
What is the molecular weight of Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate?
The molecular weight of Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate is 323.14 g/mol.
Where can I buy Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate?
You can request a quote for Diethyl {[(3,5-dimethoxyphenyl)amino]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 {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl {[(3,5-dimethoxyphenyl)amino]methylidene}propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.