2-乙基己酸苄酯
TL;DR: 2-乙基己酸苄酯 (CAS 67874-83-3) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基己酸苄酯
benzyl 2-ethylhexanoate
Also Known As: Benzyl 2-ethylhexanoate, Hexanoic acid, 2-ethyl-, phenylmethyl ester, 2-Ethylhexanoic acid phenylmethyl ester, EINECS 267-512-6, RefChem:787333
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 67874-83-3 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OCC1=CC=CC=C1 |
| InChIKey | FHCYNCMLCRSWSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基己酸苄酯 (CAS 67874-83-3), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: benzyl 2-ethylhexanoate.
Chemical Property Profile of 2-乙基己酸苄酯
Property Insights of 2-乙基己酸苄酯
The XLogP value of 4.4 indicates that 2-乙基己酸苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-乙基己酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基己酸苄酯 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 2-乙基己酸苄酯?
The CAS number of 2-乙基己酸苄酯 is 67874-83-3.
What is the molecular formula of 2-乙基己酸苄酯?
The molecular formula of 2-乙基己酸苄酯 is C15H22O2.
What is the molecular weight of 2-乙基己酸苄酯?
The molecular weight of 2-乙基己酸苄酯 is 234.16 g/mol.
Where can I buy 2-乙基己酸苄酯?
You can request a quote for 2-乙基己酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基己酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基己酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.