Diethyl(2,3-dimethoxybenzylidene)propanedioate
TL;DR: Diethyl(2,3-dimethoxybenzylidene)propanedioate (CAS 5113-30-4) is a chemical compound with molecular formula C16H20O6 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2,3-dimethoxyphenyl)methylidene]propanedioate
Also Known As: diethyl(2,3-dimethoxybenzylidene)propanedioate, diethyl 2,3-dimethoxybenzylidenemalonate, J1.673.286I, diethyl 2-[(2,3-dimethoxyphenyl)methylidene]propanedioate, 2-(2,3-Dimethoxybenzylidene)malonic acid diethyl ester
| Molecular Formula | C16H20O6 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 308.12598 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 5113-30-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=C(C(=CC=C1)OC)OC)C(=O)OCC |
| InChIKey | VCHSRJSLOQLZKE-UHFFFAOYSA-N |
Product Overview
Diethyl(2,3-dimethoxybenzylidene)propanedioate (CAS 5113-30-4), with molecular formula C16H20O6 and molecular weight 308.13 g/mol. IUPAC: diethyl 2-[(2,3-dimethoxyphenyl)methylidene]propanedioate.
Chemical Property Profile of Diethyl(2,3-dimethoxybenzylidene)propanedioate
Property Insights of Diethyl(2,3-dimethoxybenzylidene)propanedioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(2,3-dimethoxybenzylidene)propanedioate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl(2,3-dimethoxybenzylidene)propanedioate. Following Lipinski's Rule of Five, Diethyl(2,3-dimethoxybenzylidene)propanedioate has 0 hydrogen bond donor(s) and 6 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-dimethoxybenzylidene)propanedioate?
The CAS number of Diethyl(2,3-dimethoxybenzylidene)propanedioate is 5113-30-4.
What is the molecular formula of Diethyl(2,3-dimethoxybenzylidene)propanedioate?
The molecular formula of Diethyl(2,3-dimethoxybenzylidene)propanedioate is C16H20O6.
What is the molecular weight of Diethyl(2,3-dimethoxybenzylidene)propanedioate?
The molecular weight of Diethyl(2,3-dimethoxybenzylidene)propanedioate is 308.13 g/mol.
Where can I buy Diethyl(2,3-dimethoxybenzylidene)propanedioate?
You can request a quote for Diethyl(2,3-dimethoxybenzylidene)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-dimethoxybenzylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(2,3-dimethoxybenzylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.