4-Methoxyphenyl trans-4-pentylcyclohexanoate
TL;DR: 4-Methoxyphenyl trans-4-pentylcyclohexanoate (CAS 67589-52-0) is a chemical compound with molecular formula C19H28O3 and molecular weight 304.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate
Also Known As: Trans-4-methoxyphenyl 4-pentylcyclohexanecarboxylate, 2-bromoethylethylether, Cyclohexanecarboxylic acid, 4-pentyl-, 4-methoxyphenyl ester, trans-, 4-Methoxyphenyl trans-4-pentylcyclohexanoate, (4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate
| Molecular Formula | C19H28O3 |
|---|---|
| Molecular Weight | 304.20 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 304.20386 |
| Heavy Atoms | 22 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 67589-52-0 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OC |
| InChIKey | HJIVFZUPTYADSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxyphenyl trans-4-pentylcyclohexanoate (CAS 67589-52-0), with molecular formula C19H28O3 and molecular weight 304.20 g/mol. IUPAC: (4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate.
Chemical Property Profile of 4-Methoxyphenyl trans-4-pentylcyclohexanoate
Property Insights of 4-Methoxyphenyl trans-4-pentylcyclohexanoate
The XLogP value of 6.1 indicates that 4-Methoxyphenyl trans-4-pentylcyclohexanoate 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-Methoxyphenyl trans-4-pentylcyclohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxyphenyl trans-4-pentylcyclohexanoate 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-Methoxyphenyl trans-4-pentylcyclohexanoate?
The CAS number of 4-Methoxyphenyl trans-4-pentylcyclohexanoate is 67589-52-0.
What is the molecular formula of 4-Methoxyphenyl trans-4-pentylcyclohexanoate?
The molecular formula of 4-Methoxyphenyl trans-4-pentylcyclohexanoate is C19H28O3.
What is the molecular weight of 4-Methoxyphenyl trans-4-pentylcyclohexanoate?
The molecular weight of 4-Methoxyphenyl trans-4-pentylcyclohexanoate is 304.20 g/mol.
Where can I buy 4-Methoxyphenyl trans-4-pentylcyclohexanoate?
You can request a quote for 4-Methoxyphenyl trans-4-pentylcyclohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxyphenyl trans-4-pentylcyclohexanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxyphenyl trans-4-pentylcyclohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.