Ethyl 2-benzoylhexanoate
TL;DR: Ethyl 2-benzoylhexanoate (CAS 6134-71-0) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzoylhexanoate
Also Known As: Ethyl 2-benzoylhexanoate, Hexanoic acid, ethyl ester, Ethyl 2-benzoylhexanoate #, 2-Benzoylhexanoic acid ethyl ester, Benzenepropanoic acid, ethyl ester
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 6134-71-0 |
|---|---|
| SMILES | CCCCC(C(=O)C1=CC=CC=C1)C(=O)OCC |
| InChIKey | PRTRNADIOWYQGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-benzoylhexanoate (CAS 6134-71-0), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: ethyl 2-benzoylhexanoate.
Chemical Property Profile of Ethyl 2-benzoylhexanoate
Property Insights of Ethyl 2-benzoylhexanoate
The XLogP value of 4.0 indicates that Ethyl 2-benzoylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-benzoylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-benzoylhexanoate has 0 hydrogen bond donor(s) and 3 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 Ethyl 2-benzoylhexanoate?
The CAS number of Ethyl 2-benzoylhexanoate is 6134-71-0.
What is the molecular formula of Ethyl 2-benzoylhexanoate?
The molecular formula of Ethyl 2-benzoylhexanoate is C15H20O3.
What is the molecular weight of Ethyl 2-benzoylhexanoate?
The molecular weight of Ethyl 2-benzoylhexanoate is 248.14 g/mol.
Where can I buy Ethyl 2-benzoylhexanoate?
You can request a quote for Ethyl 2-benzoylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzoylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzoylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.