Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester
TL;DR: Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester (CAS 7324-87-0) 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-[(2,5-dimethoxyphenyl)methylidene]propanedioate
Also Known As: Diethyl (2,5-dimethoxybenzylidene)malonate, Diethyl 2,5-dimethoxybenzylidene-malonate, diethyl(2,5-dimethoxybenzylidene)malonate, NCI60_014575, Diethyl 2-(2,5-dimethoxybenzylidene)malonate
| Molecular Formula | C16H20O6 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 3.3 |
| 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 | 7324-87-0 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=C(C=CC(=C1)OC)OC)C(=O)OCC |
| InChIKey | SDKURJSMAYMSOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester (CAS 7324-87-0), with molecular formula C16H20O6 and molecular weight 308.13 g/mol. IUPAC: diethyl 2-[(2,5-dimethoxyphenyl)methylidene]propanedioate.
Chemical Property Profile of Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester
Property Insights of Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester
The XLogP value of 3.3 indicates that Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester 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 Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester?
The CAS number of Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester is 7324-87-0.
What is the molecular formula of Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester?
The molecular formula of Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester is C16H20O6.
What is the molecular weight of Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester?
The molecular weight of Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester is 308.13 g/mol.
Where can I buy Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester?
You can request a quote for Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.