Diethyl 3-phenylpentanedioate
TL;DR: Diethyl 3-phenylpentanedioate (CAS 6342-78-5) 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 3-phenylpentanedioate
Also Known As: diethyl 3-phenylpentanedioate, 3-Phenylglutaric acid diethyl ester, 3-phenyl-glutaric acid diethyl ester, 1,5-DIETHYL 3-PHENYLPENTANEDIOATE, J3.046.791D
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 2.4 |
| 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 | 262.0 |
Chemical Identifiers
| CAS Number | 6342-78-5 |
|---|---|
| SMILES | CCOC(=O)CC(CC(=O)OCC)C1=CC=CC=C1 |
| InChIKey | GSDRMAHJAKQAOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 3-phenylpentanedioate (CAS 6342-78-5), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: diethyl 3-phenylpentanedioate.
Chemical Property Profile of Diethyl 3-phenylpentanedioate
Property Insights of Diethyl 3-phenylpentanedioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-phenylpentanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 3-phenylpentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 3-phenylpentanedioate 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 3-phenylpentanedioate?
The CAS number of Diethyl 3-phenylpentanedioate is 6342-78-5.
What is the molecular formula of Diethyl 3-phenylpentanedioate?
The molecular formula of Diethyl 3-phenylpentanedioate is C15H20O4.
What is the molecular weight of Diethyl 3-phenylpentanedioate?
The molecular weight of Diethyl 3-phenylpentanedioate is 264.14 g/mol.
Where can I buy Diethyl 3-phenylpentanedioate?
You can request a quote for Diethyl 3-phenylpentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-phenylpentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-phenylpentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.