(4-Hexylcyclohexyl) acetate
TL;DR: (4-Hexylcyclohexyl) acetate (CAS 7770-77-6) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hexylcyclohexyl) acetate
Also Known As: acetate, (4-hexylcyclohexyl) acetate, 4-HEXYLCYCLOHEXYL ACETATE
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 7770-77-6 |
|---|---|
| SMILES | CCCCCCC1CCC(CC1)OC(=O)C |
| InChIKey | OVRBCELCLADWAC-UHFFFAOYSA-N |
Product Overview
(4-Hexylcyclohexyl) acetate (CAS 7770-77-6), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: (4-hexylcyclohexyl) acetate.
Chemical Property Profile of (4-Hexylcyclohexyl) acetate
Property Insights of (4-Hexylcyclohexyl) acetate
The XLogP value of 4.9 indicates that (4-Hexylcyclohexyl) acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (4-Hexylcyclohexyl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Hexylcyclohexyl) acetate 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 (4-Hexylcyclohexyl) acetate?
The CAS number of (4-Hexylcyclohexyl) acetate is 7770-77-6.
What is the molecular formula of (4-Hexylcyclohexyl) acetate?
The molecular formula of (4-Hexylcyclohexyl) acetate is C14H26O2.
What is the molecular weight of (4-Hexylcyclohexyl) acetate?
The molecular weight of (4-Hexylcyclohexyl) acetate is 226.19 g/mol.
Where can I buy (4-Hexylcyclohexyl) acetate?
You can request a quote for (4-Hexylcyclohexyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Hexylcyclohexyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Hexylcyclohexyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.