Diethyl ethylphenylmalonate
TL;DR: Diethyl ethylphenylmalonate (CAS 76-67-5) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-ethyl-2-phenylpropanedioate
Also Known As: Diethyl 2-ethyl-2-phenylmalonate, Diethyl ethylphenylmalonate, Diethyl ethyl(phenyl)malonate, Propanedioic acid, ethylphenyl-, diethyl ester, diethyl 2-ethyl-2-phenylpropanedioate
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 76-67-5 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC |
| InChIKey | PKRVDBARWFJWEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl ethylphenylmalonate (CAS 76-67-5), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: diethyl 2-ethyl-2-phenylpropanedioate.
Chemical Property Profile of Diethyl ethylphenylmalonate
Property Insights of Diethyl ethylphenylmalonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ethylphenylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl ethylphenylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl ethylphenylmalonate has 0 hydrogen bond donor(s) and 4 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 ethylphenylmalonate?
The CAS number of Diethyl ethylphenylmalonate is 76-67-5.
What is the molecular formula of Diethyl ethylphenylmalonate?
The molecular formula of Diethyl ethylphenylmalonate is C15H20O4.
What is the molecular weight of Diethyl ethylphenylmalonate?
The molecular weight of Diethyl ethylphenylmalonate is 264.14 g/mol.
Where can I buy Diethyl ethylphenylmalonate?
You can request a quote for Diethyl ethylphenylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ethylphenylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ethylphenylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.