Phenethyl 2-ethylbutanoate
TL;DR: Phenethyl 2-ethylbutanoate (CAS 6315-04-4) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2-ethylbutanoate
Also Known As: 2-Phenylethyl 2-ethylbutyrate, 2-phenylethyl 2-ethylbutanoate, phenethyl 2-ethylbutanoate, Phenethyl 2-ethylbutyrate, phenethyl diethylacetate
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 6315-04-4 |
|---|---|
| SMILES | CCC(CC)C(=O)OCCC1=CC=CC=C1 |
| InChIKey | DKEOOFKYPNZAAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl 2-ethylbutanoate (CAS 6315-04-4), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 2-phenylethyl 2-ethylbutanoate.
Chemical Property Profile of Phenethyl 2-ethylbutanoate
Property Insights of Phenethyl 2-ethylbutanoate
The XLogP value of 4.1 indicates that Phenethyl 2-ethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenethyl 2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl 2-ethylbutanoate has 0 hydrogen bond donor(s) and 2 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 Phenethyl 2-ethylbutanoate?
The CAS number of Phenethyl 2-ethylbutanoate is 6315-04-4.
What is the molecular formula of Phenethyl 2-ethylbutanoate?
The molecular formula of Phenethyl 2-ethylbutanoate is C14H20O2.
What is the molecular weight of Phenethyl 2-ethylbutanoate?
The molecular weight of Phenethyl 2-ethylbutanoate is 220.15 g/mol.
Where can I buy Phenethyl 2-ethylbutanoate?
You can request a quote for Phenethyl 2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.