2-Ethylcyclohexanol, heptafluorobutyrate
TL;DR: 2-Ethylcyclohexanol, heptafluorobutyrate (CAS 959079-92-6) is a chemical compound with molecular formula C12H15F7O2 and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethylcyclohexyl) 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: 2-Ethylcyclohexanol heptafluorobutyrate, 2-Ethylcyclohexanol, heptafluorobutyrate, 1-Ethyl-2-heptafluorobutyryloxycyclohexane, (2-ethylcyclohexyl) 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C12H15F7O2 |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.09604 |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 959079-92-6 |
|---|---|
| SMILES | CCC1CCCCC1OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | QUGSZKGFYRCIMJ-UHFFFAOYSA-N |
Product Overview
2-Ethylcyclohexanol, heptafluorobutyrate (CAS 959079-92-6), with molecular formula C12H15F7O2 and molecular weight 324.10 g/mol. IUPAC: (2-ethylcyclohexyl) 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of 2-Ethylcyclohexanol, heptafluorobutyrate
Property Insights of 2-Ethylcyclohexanol, heptafluorobutyrate
The XLogP value of 5.2 indicates that 2-Ethylcyclohexanol, heptafluorobutyrate 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-Ethylcyclohexanol, heptafluorobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylcyclohexanol, heptafluorobutyrate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Ethylcyclohexanol, heptafluorobutyrate?
The CAS number of 2-Ethylcyclohexanol, heptafluorobutyrate is 959079-92-6.
What is the molecular formula of 2-Ethylcyclohexanol, heptafluorobutyrate?
The molecular formula of 2-Ethylcyclohexanol, heptafluorobutyrate is C12H15F7O2.
What is the molecular weight of 2-Ethylcyclohexanol, heptafluorobutyrate?
The molecular weight of 2-Ethylcyclohexanol, heptafluorobutyrate is 324.10 g/mol.
Where can I buy 2-Ethylcyclohexanol, heptafluorobutyrate?
You can request a quote for 2-Ethylcyclohexanol, heptafluorobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylcyclohexanol, heptafluorobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylcyclohexanol, heptafluorobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.