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Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate
TL;DR: Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate (CAS 51444-50-9) is a chemical compound with molecular formula C17H22O7 and molecular weight 338.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioate
Also Known As: Diethyl 2-(3,4,5-trimethoxybenzylidene)malonate, Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate, diethyl 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioate, J1.696.080B, diethyl (3,4,5-trimethoxyphenyl)methylenemalonate
| Molecular Formula | C17H22O7 |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 338.13657 |
| Heavy Atoms | 24 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 51444-50-9 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=C(C(=C1)OC)OC)OC)C(=O)OCC |
| InChIKey | ANABDCWEIYRPSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate (CAS 51444-50-9), with molecular formula C17H22O7 and molecular weight 338.14 g/mol. IUPAC: diethyl 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioate.
Chemical Property Profile of Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate
Property Insights of Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate. Following Lipinski's Rule of Five, Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate has 0 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 [(3,4,5-trimethoxyphenyl)methylidene]propanedioate?
The CAS number of Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate is 51444-50-9.
What is the molecular formula of Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate?
The molecular formula of Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate is C17H22O7.
What is the molecular weight of Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate?
The molecular weight of Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate is 338.14 g/mol.
Where can I buy Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate?
You can request a quote for Diethyl [(3,4,5-trimethoxyphenyl)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 [(3,4,5-trimethoxyphenyl)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [(3,4,5-trimethoxyphenyl)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.