Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans-
TL;DR: Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans- (CAS 67589-47-3) 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-ethoxyphenyl) 4-butylcyclohexane-1-carboxylate
Also Known As: 4-Ethoxyphenyl trans-4-butylcyclohexanoate, Trans-4-ethoxyphenyl 4-butylcyclohexanecarboxylate, ChemDiv3_000315, 4-Ethoxyphenyl 4-butylcyclohexanecarboxylate, 4-Ethoxyphenyl trans-4-butylcyclohexanecarboxylate
| Molecular Formula | C19H28O3 |
|---|---|
| Molecular Weight | 304.20 g/mol |
| LogP | 6.0 |
| 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 | 67589-47-3 |
|---|---|
| SMILES | CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC |
| InChIKey | JAYBMJPZPJBTQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans- (CAS 67589-47-3), with molecular formula C19H28O3 and molecular weight 304.20 g/mol. IUPAC: (4-ethoxyphenyl) 4-butylcyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans-
Property Insights of Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans-
The XLogP value of 6.0 indicates that Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans- 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 Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans-?
The CAS number of Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans- is 67589-47-3.
What is the molecular formula of Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans-?
The molecular formula of Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans- is C19H28O3.
What is the molecular weight of Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans-?
The molecular weight of Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans- is 304.20 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans-?
You can request a quote for Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.