1,3-Diethyl 2-(2-phenylethyl)propanedioate
TL;DR: 1,3-Diethyl 2-(2-phenylethyl)propanedioate (CAS 6628-68-8) 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-(2-phenylethyl)propanedioate
Also Known As: Diethyl 2-phenethylmalonate, Diethyl 2-phenylethylmalonate, diethyl (2-phenylethyl)malonate, diethyl 2-(phenylethyl)malonoate, diethyl phenethylmalonate
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 6628-68-8 |
|---|---|
| SMILES | CCOC(=O)C(CCC1=CC=CC=C1)C(=O)OCC |
| InChIKey | LMFLGETWXFOVMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diethyl 2-(2-phenylethyl)propanedioate (CAS 6628-68-8), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: diethyl 2-(2-phenylethyl)propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-(2-phenylethyl)propanedioate
Property Insights of 1,3-Diethyl 2-(2-phenylethyl)propanedioate
The XLogP value of 3.1 indicates that 1,3-Diethyl 2-(2-phenylethyl)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Diethyl 2-(2-phenylethyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl 2-(2-phenylethyl)propanedioate 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 1,3-Diethyl 2-(2-phenylethyl)propanedioate?
The CAS number of 1,3-Diethyl 2-(2-phenylethyl)propanedioate is 6628-68-8.
What is the molecular formula of 1,3-Diethyl 2-(2-phenylethyl)propanedioate?
The molecular formula of 1,3-Diethyl 2-(2-phenylethyl)propanedioate is C15H20O4.
What is the molecular weight of 1,3-Diethyl 2-(2-phenylethyl)propanedioate?
The molecular weight of 1,3-Diethyl 2-(2-phenylethyl)propanedioate is 264.14 g/mol.
Where can I buy 1,3-Diethyl 2-(2-phenylethyl)propanedioate?
You can request a quote for 1,3-Diethyl 2-(2-phenylethyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-(2-phenylethyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-(2-phenylethyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.