4-Propylphenyl 4-butylcyclohexanecarboxylate
TL;DR: 4-Propylphenyl 4-butylcyclohexanecarboxylate (CAS 89356-02-5) is a chemical compound with molecular formula C20H30O2 and molecular weight 302.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propylphenyl) 4-butylcyclohexane-1-carboxylate
Also Known As: 4-Propylphenyl 4-butylcyclohexanecarboxylate, (4-propylphenyl) 4-butylcyclohexane-1-carboxylate, 4-Propylphenyl 4-butylcyclohexanecarboxylate #, 4-PROPYLPHENYL 4-BUTYLCYCLOHEXANE-1-CARBOXYLATE, Cyclohexanecarboxylic acid, 4-butyl-, 4-propylphenyl ester
| Molecular Formula | C20H30O2 |
|---|---|
| Molecular Weight | 302.22 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.22458 |
| Heavy Atoms | 22 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 89356-02-5 |
|---|---|
| SMILES | CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC |
| InChIKey | ZMYWQRQTUKPLRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Propylphenyl 4-butylcyclohexanecarboxylate (CAS 89356-02-5), with molecular formula C20H30O2 and molecular weight 302.22 g/mol. IUPAC: (4-propylphenyl) 4-butylcyclohexane-1-carboxylate.
Chemical Property Profile of 4-Propylphenyl 4-butylcyclohexanecarboxylate
Property Insights of 4-Propylphenyl 4-butylcyclohexanecarboxylate
The XLogP value of 7.0 indicates that 4-Propylphenyl 4-butylcyclohexanecarboxylate 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-Propylphenyl 4-butylcyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propylphenyl 4-butylcyclohexanecarboxylate 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-Propylphenyl 4-butylcyclohexanecarboxylate?
The CAS number of 4-Propylphenyl 4-butylcyclohexanecarboxylate is 89356-02-5.
What is the molecular formula of 4-Propylphenyl 4-butylcyclohexanecarboxylate?
The molecular formula of 4-Propylphenyl 4-butylcyclohexanecarboxylate is C20H30O2.
What is the molecular weight of 4-Propylphenyl 4-butylcyclohexanecarboxylate?
The molecular weight of 4-Propylphenyl 4-butylcyclohexanecarboxylate is 302.22 g/mol.
Where can I buy 4-Propylphenyl 4-butylcyclohexanecarboxylate?
You can request a quote for 4-Propylphenyl 4-butylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Propylphenyl 4-butylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Propylphenyl 4-butylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.