![2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester structure](/static/products/6771/6771-54-6.webp)
2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester
TL;DR: 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester (CAS 6771-54-6) is a chemical compound with molecular formula C15H18O5 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3-methoxyphenyl)methylidene]propanedioate
Also Known As: Diethyl 2-(3-methoxybenzylidene)malonate, starbld0006827, Diethyl m-methoxybenzylidene malonate, 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester, diethyl 2-[(3-methoxyphenyl)methylidene]propanedioate
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.11542 |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 6771-54-6 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=CC=C1)OC)C(=O)OCC |
| InChIKey | IKPJWXIDYODYGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester (CAS 6771-54-6), with molecular formula C15H18O5 and molecular weight 278.12 g/mol. IUPAC: diethyl 2-[(3-methoxyphenyl)methylidene]propanedioate.
Chemical Property Profile of 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester
Property Insights of 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester
The XLogP value of 3.2 indicates that 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester. Following Lipinski's Rule of Five, 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester has 0 hydrogen bond donor(s) and 5 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 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester?
The CAS number of 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester is 6771-54-6.
What is the molecular formula of 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester?
The molecular formula of 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester is C15H18O5.
What is the molecular weight of 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester?
The molecular weight of 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester is 278.12 g/mol.
Where can I buy 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester?
You can request a quote for 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 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 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Methoxyphenyl)methylene]-propanedioic Acid 1,3-Diethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.