Diethyl 4-methoxybenzalmalonate
TL;DR: Diethyl 4-methoxybenzalmalonate (CAS 6768-23-6) 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-[(4-methoxyphenyl)methylidene]propanedioate
Also Known As: Diethyl 4-methoxybenzalmalonate, Diethyl 2-(4-methoxybenzylidene)malonate, 4-chloropentylbenzene, zlchem 131, diethylmalonate,4-meo benzal
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 3.3 |
| 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 | 333.0 |
Chemical Identifiers
| CAS Number | 6768-23-6 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)OC)C(=O)OCC |
| InChIKey | KUBLMWHFTKNBHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 4-methoxybenzalmalonate (CAS 6768-23-6), with molecular formula C15H18O5 and molecular weight 278.12 g/mol. IUPAC: diethyl 2-[(4-methoxyphenyl)methylidene]propanedioate.
Chemical Property Profile of Diethyl 4-methoxybenzalmalonate
Property Insights of Diethyl 4-methoxybenzalmalonate
The XLogP value of 3.3 indicates that Diethyl 4-methoxybenzalmalonate 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 Diethyl 4-methoxybenzalmalonate. Following Lipinski's Rule of Five, Diethyl 4-methoxybenzalmalonate 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 Diethyl 4-methoxybenzalmalonate?
The CAS number of Diethyl 4-methoxybenzalmalonate is 6768-23-6.
What is the molecular formula of Diethyl 4-methoxybenzalmalonate?
The molecular formula of Diethyl 4-methoxybenzalmalonate is C15H18O5.
What is the molecular weight of Diethyl 4-methoxybenzalmalonate?
The molecular weight of Diethyl 4-methoxybenzalmalonate is 278.12 g/mol.
Where can I buy Diethyl 4-methoxybenzalmalonate?
You can request a quote for Diethyl 4-methoxybenzalmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4-methoxybenzalmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-methoxybenzalmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.