2-乙基己基酯
TL;DR: 2-乙基己基酯 (CAS 6278-66-6) is a chemical compound with molecular formula C18H24O4 and molecular weight 304.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基己基酯
trans-1,3-benzodioxol-5-ylmethyl (1R,3S)-1-methyl-3-propan-2-ylcyclopentane-1-carboxylate
Also Known As: 2-ethylhexyl ester, KST-1B6425, 1,3-benzodioxol-5-ylmethyl (1R,3S)-1-methyl-3-propan-2-ylcyclopentane-1-carboxylate, 1,3-benzodioxol-5-ylmethyl(1r,3s)-1-methyl-3-(propan-2-yl)cyclopentanecarboxylate, (2H-1,3-Benzodioxol-5-yl)methyl 1-methyl-3-(propan-2-yl)cyclopentane-1-carboxylate
| Molecular Formula | C18H24O4 |
|---|---|
| Molecular Weight | 304.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.16745 |
| Heavy Atoms | 22 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 6278-66-6 |
|---|---|
| SMILES | CC(C)[C@H]1CC[C@@](C1)(C)C(=O)OCC2=CC3=C(C=C2)OCO3 |
| InChIKey | SORXWZCCEBTRKW-KBXCAEBGSA-N |
Product Overview
2-乙基己基酯 (CAS 6278-66-6), with molecular formula C18H24O4 and molecular weight 304.17 g/mol. IUPAC: trans-1,3-benzodioxol-5-ylmethyl (1R,3S)-1-methyl-3-propan-2-ylcyclopentane-1-carboxylate.
Chemical Property Profile of 2-乙基己基酯
Property Insights of 2-乙基己基酯
The XLogP value of 4.4 indicates that 2-乙基己基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 2-乙基己基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基己基酯 has 0 hydrogen bond donor(s) and 4 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-乙基己基酯?
The CAS number of 2-乙基己基酯 is 6278-66-6.
What is the molecular formula of 2-乙基己基酯?
The molecular formula of 2-乙基己基酯 is C18H24O4.
What is the molecular weight of 2-乙基己基酯?
The molecular weight of 2-乙基己基酯 is 304.17 g/mol.
Where can I buy 2-乙基己基酯?
You can request a quote for 2-乙基己基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基己基酯?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基己基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.