Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans-
TL;DR: Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans- (CAS 67950-89-4) is a chemical compound with molecular formula C18H26O3 and molecular weight 290.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 4-butylcyclohexane-1-carboxylate
Also Known As: 4-Methoxyphenyl 4-butylcyclohexanecarboxylate, (4-methoxyphenyl) 4-butylcyclohexane-1-carboxylate, 4-methoxyphenyl trans-4-butylcyclohexanecarboxylate, Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans-, 4-Methoxyphenyl 4-butylcyclohexanecarboxylate #
| Molecular Formula | C18H26O3 |
|---|---|
| Molecular Weight | 290.19 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.1882 |
| Heavy Atoms | 21 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 67950-89-4 |
|---|---|
| SMILES | CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OC |
| InChIKey | SATRKQXJJHOCFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans- (CAS 67950-89-4), with molecular formula C18H26O3 and molecular weight 290.19 g/mol. IUPAC: (4-methoxyphenyl) 4-butylcyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans-
Property Insights of Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans-
The XLogP value of 5.6 indicates that Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl 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-methoxyphenyl ester, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl 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-methoxyphenyl ester, trans-?
The CAS number of Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans- is 67950-89-4.
What is the molecular formula of Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans-?
The molecular formula of Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans- is C18H26O3.
What is the molecular weight of Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans-?
The molecular weight of Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans- is 290.19 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans-?
You can request a quote for Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl 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-methoxyphenyl ester, trans-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 4-butyl-, 4-methoxyphenyl ester, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.