(4-Cyclohexylcyclohexyl) octanoate
TL;DR: (4-Cyclohexylcyclohexyl) octanoate (CAS 90152-74-2) is a chemical compound with molecular formula C20H36O2 and molecular weight 308.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyclohexylcyclohexyl) octanoate
Also Known As: (4-cyclohexylcyclohexyl) octanoate, 1,1'-bi(cyclohexyl)-4-yl octanoate, KST-1B9119, [1,1'-Bi(cyclohexan)]-4-yl octanoate, Octanoic acid,[1,1'-bicyclohexyl]-4-yl ester
| Molecular Formula | C20H36O2 |
|---|---|
| Molecular Weight | 308.27 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 308.27155 |
| Heavy Atoms | 22 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 90152-74-2 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1CCC(CC1)C2CCCCC2 |
| InChIKey | LDAOJDCYCCXSOX-UHFFFAOYSA-N |
Product Overview
(4-Cyclohexylcyclohexyl) octanoate (CAS 90152-74-2), with molecular formula C20H36O2 and molecular weight 308.27 g/mol. IUPAC: (4-cyclohexylcyclohexyl) octanoate.
Chemical Property Profile of (4-Cyclohexylcyclohexyl) octanoate
Property Insights of (4-Cyclohexylcyclohexyl) octanoate
The XLogP value of 7.4 indicates that (4-Cyclohexylcyclohexyl) octanoate 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-Cyclohexylcyclohexyl) octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Cyclohexylcyclohexyl) octanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Cyclohexylcyclohexyl) octanoate?
The CAS number of (4-Cyclohexylcyclohexyl) octanoate is 90152-74-2.
What is the molecular formula of (4-Cyclohexylcyclohexyl) octanoate?
The molecular formula of (4-Cyclohexylcyclohexyl) octanoate is C20H36O2.
What is the molecular weight of (4-Cyclohexylcyclohexyl) octanoate?
The molecular weight of (4-Cyclohexylcyclohexyl) octanoate is 308.27 g/mol.
Where can I buy (4-Cyclohexylcyclohexyl) octanoate?
You can request a quote for (4-Cyclohexylcyclohexyl) octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Cyclohexylcyclohexyl) octanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyclohexylcyclohexyl) octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.