Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester
TL;DR: Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester (CAS 67589-48-4) 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-propoxyphenyl) 4-butylcyclohexane-1-carboxylate
Also Known As: 4-Propoxyphenyl 4-butylcyclohexanecarboxylate, Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester, (4-propoxyphenyl) 4-butylcyclohexane-1-carboxylate, 4-Propoxyphenyl 4-butylcyclohexanecarboxylate #, 4-PROPOXYPHENYL 4-BUTYLCYCLOHEXANE-1-CARBOXYLATE
| Molecular Formula | C20H30O3 |
|---|---|
| Molecular Weight | 318.22 g/mol |
| LogP | 6.5 |
| 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 | 67589-48-4 |
|---|---|
| SMILES | CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCC |
| InChIKey | YWSWGILPMXOBMK-UHFFFAOYSA-N |
Product Overview
Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester (CAS 67589-48-4), with molecular formula C20H30O3 and molecular weight 318.22 g/mol. IUPAC: (4-propoxyphenyl) 4-butylcyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester
Property Insights of Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester
The XLogP value of 6.5 indicates that Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester 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-propoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester 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-propoxyphenyl ester?
The CAS number of Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester is 67589-48-4.
What is the molecular formula of Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester?
The molecular formula of Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester is C20H30O3.
What is the molecular weight of Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester?
The molecular weight of Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester is 318.22 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester?
You can request a quote for Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester 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-propoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 4-butyl-, 4-propoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.