Ethyl 2-benzoyl-5-methylhexanoate
TL;DR: Ethyl 2-benzoyl-5-methylhexanoate (CAS 6305-62-0) is a chemical compound with molecular formula C16H22O3 and molecular weight 262.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzoyl-5-methylhexanoate
Also Known As: ethyl 2-benzoyl-5-methylhexanoate, ETHYL 2-BENZOYL-5-METHYL-HEXANOATE, Benzenepropanoic acid, a-(3-methylbutyl)-b-oxo-, ethyl ester
| Molecular Formula | C16H22O3 |
|---|---|
| Molecular Weight | 262.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 262.1569 |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 6305-62-0 |
|---|---|
| SMILES | CCOC(=O)C(CCC(C)C)C(=O)C1=CC=CC=C1 |
| InChIKey | NEGHEQTZPWCFSR-UHFFFAOYSA-N |
Product Overview
Ethyl 2-benzoyl-5-methylhexanoate (CAS 6305-62-0), with molecular formula C16H22O3 and molecular weight 262.16 g/mol. IUPAC: ethyl 2-benzoyl-5-methylhexanoate.
Chemical Property Profile of Ethyl 2-benzoyl-5-methylhexanoate
Property Insights of Ethyl 2-benzoyl-5-methylhexanoate
The XLogP value of 4.3 indicates that Ethyl 2-benzoyl-5-methylhexanoate 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-benzoyl-5-methylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-benzoyl-5-methylhexanoate 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-benzoyl-5-methylhexanoate?
The CAS number of Ethyl 2-benzoyl-5-methylhexanoate is 6305-62-0.
What is the molecular formula of Ethyl 2-benzoyl-5-methylhexanoate?
The molecular formula of Ethyl 2-benzoyl-5-methylhexanoate is C16H22O3.
What is the molecular weight of Ethyl 2-benzoyl-5-methylhexanoate?
The molecular weight of Ethyl 2-benzoyl-5-methylhexanoate is 262.16 g/mol.
Where can I buy Ethyl 2-benzoyl-5-methylhexanoate?
You can request a quote for Ethyl 2-benzoyl-5-methylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzoyl-5-methylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzoyl-5-methylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.