Diethyl pentyl(2-phenylethyl)propanedioate
TL;DR: Diethyl pentyl(2-phenylethyl)propanedioate (CAS 104500-00-7) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-pentyl-2-(2-phenylethyl)propanedioate
Also Known As: diethyl pentyl(2-phenylethyl)propanedioate, diethyl 2-pentyl-2-phenethylpropanedioate
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 104500-00-7 |
|---|---|
| SMILES | CCCCCC(CCC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC |
| InChIKey | NRBWMBZPEAQBDD-UHFFFAOYSA-N |
Product Overview
Diethyl pentyl(2-phenylethyl)propanedioate (CAS 104500-00-7), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: diethyl 2-pentyl-2-(2-phenylethyl)propanedioate.
Chemical Property Profile of Diethyl pentyl(2-phenylethyl)propanedioate
Property Insights of Diethyl pentyl(2-phenylethyl)propanedioate
The XLogP value of 5.6 indicates that Diethyl pentyl(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, Diethyl pentyl(2-phenylethyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl pentyl(2-phenylethyl)propanedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl pentyl(2-phenylethyl)propanedioate?
The CAS number of Diethyl pentyl(2-phenylethyl)propanedioate is 104500-00-7.
What is the molecular formula of Diethyl pentyl(2-phenylethyl)propanedioate?
The molecular formula of Diethyl pentyl(2-phenylethyl)propanedioate is C20H30O4.
What is the molecular weight of Diethyl pentyl(2-phenylethyl)propanedioate?
The molecular weight of Diethyl pentyl(2-phenylethyl)propanedioate is 334.21 g/mol.
Where can I buy Diethyl pentyl(2-phenylethyl)propanedioate?
You can request a quote for Diethyl pentyl(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 Diethyl pentyl(2-phenylethyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl pentyl(2-phenylethyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.