4-Butoxyphenyl 4-propylcyclohexanecarboxylate
TL;DR: 4-Butoxyphenyl 4-propylcyclohexanecarboxylate (CAS 67589-41-7) is a chemical compound with molecular formula C20H30O3 and molecular weight 318.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butoxyphenyl) 4-propylcyclohexane-1-carboxylate
Also Known As: 4-Butoxyphenyl 4-propylcyclohexanecarboxylate, (4-butoxyphenyl) 4-propylcyclohexane-1-carboxylate, 4-Butoxyphenyl 4-propylcyclohexanecarboxylate #, Cyclohexanecarboxylic acid, 4-propyl-, 4-butoxyphenyl ester, trans-, trans-4-Butoxyphenyl 4-propylcyclohexane-1-carboxylate
| Molecular Formula | C20H30O3 |
|---|---|
| Molecular Weight | 318.22 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.21948 |
| Heavy Atoms | 23 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 67589-41-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCC |
| InChIKey | OBOYCOSBIKGKKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Butoxyphenyl 4-propylcyclohexanecarboxylate (CAS 67589-41-7), with molecular formula C20H30O3 and molecular weight 318.22 g/mol. IUPAC: (4-butoxyphenyl) 4-propylcyclohexane-1-carboxylate.
Chemical Property Profile of 4-Butoxyphenyl 4-propylcyclohexanecarboxylate
Property Insights of 4-Butoxyphenyl 4-propylcyclohexanecarboxylate
The XLogP value of 6.3 indicates that 4-Butoxyphenyl 4-propylcyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Butoxyphenyl 4-propylcyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butoxyphenyl 4-propylcyclohexanecarboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Butoxyphenyl 4-propylcyclohexanecarboxylate?
The CAS number of 4-Butoxyphenyl 4-propylcyclohexanecarboxylate is 67589-41-7.
What is the molecular formula of 4-Butoxyphenyl 4-propylcyclohexanecarboxylate?
The molecular formula of 4-Butoxyphenyl 4-propylcyclohexanecarboxylate is C20H30O3.
What is the molecular weight of 4-Butoxyphenyl 4-propylcyclohexanecarboxylate?
The molecular weight of 4-Butoxyphenyl 4-propylcyclohexanecarboxylate is 318.22 g/mol.
Where can I buy 4-Butoxyphenyl 4-propylcyclohexanecarboxylate?
You can request a quote for 4-Butoxyphenyl 4-propylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butoxyphenyl 4-propylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxyphenyl 4-propylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.