1-tert-Butylcyclohexane-1-carboxylic acid
TL;DR: 1-tert-Butylcyclohexane-1-carboxylic acid (CAS 33017-97-9) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylcyclohexane-1-carboxylic acid
Also Known As: 1-tert-butylcyclohexane-1-carboxylic acid, 1-tert-Butylcyclohexanecarboxylic Acid, Cyclohexanecarboxylic acid, 1-(1,1-dimethylethyl)-, Cyclohexanecarboxylic acid, 1-tert-butyl-, 1-tert-Butylcyclohexanecarboxylicacid
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 33017-97-9 |
|---|---|
| SMILES | CC(C)(C)C1(CCCCC1)C(=O)O |
| InChIKey | NPRFVBVVQXZPOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-tert-Butylcyclohexane-1-carboxylic acid (CAS 33017-97-9), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 1-tert-butylcyclohexane-1-carboxylic acid.
Chemical Property Profile of 1-tert-Butylcyclohexane-1-carboxylic acid
Property Insights of 1-tert-Butylcyclohexane-1-carboxylic acid
The XLogP value of 3.4 indicates that 1-tert-Butylcyclohexane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-tert-Butylcyclohexane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butylcyclohexane-1-carboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-tert-Butylcyclohexane-1-carboxylic acid?
The CAS number of 1-tert-Butylcyclohexane-1-carboxylic acid is 33017-97-9.
What is the molecular formula of 1-tert-Butylcyclohexane-1-carboxylic acid?
The molecular formula of 1-tert-Butylcyclohexane-1-carboxylic acid is C11H20O2.
What is the molecular weight of 1-tert-Butylcyclohexane-1-carboxylic acid?
The molecular weight of 1-tert-Butylcyclohexane-1-carboxylic acid is 184.15 g/mol.
Where can I buy 1-tert-Butylcyclohexane-1-carboxylic acid?
You can request a quote for 1-tert-Butylcyclohexane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butylcyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butylcyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.