丁酸 2-乙基己酯
TL;DR: 丁酸 2-乙基己酯 (CAS 25415-84-3) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸 2-乙基己酯
2-ethylhexyl butanoate
Also Known As: 2-Ethylhexyl butyrate, 2-ethylhexyl butanoate, Octyl butyrate, Butanoic acid, 2-ethylhexyl ester, n-Butyric acid 2-ethylhexyl ester
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 25415-84-3 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCC |
| InChIKey | LFEQNZNCKDNGRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁酸 2-乙基己酯 (CAS 25415-84-3), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 2-ethylhexyl butanoate.
Chemical Property Profile of 丁酸 2-乙基己酯
Property Insights of 丁酸 2-乙基己酯
The XLogP value of 4.1 indicates that 丁酸 2-乙基己酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 丁酸 2-乙基己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酸 2-乙基己酯 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 丁酸 2-乙基己酯?
The CAS number of 丁酸 2-乙基己酯 is 25415-84-3.
What is the molecular formula of 丁酸 2-乙基己酯?
The molecular formula of 丁酸 2-乙基己酯 is C12H24O2.
What is the molecular weight of 丁酸 2-乙基己酯?
The molecular weight of 丁酸 2-乙基己酯 is 200.18 g/mol.
Where can I buy 丁酸 2-乙基己酯?
You can request a quote for 丁酸 2-乙基己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸 2-乙基己酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸 2-乙基己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.