(1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid
TL;DR: (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid (CAS 27069-57-4) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-methylcyclohexane-1-carboxylic acid
Also Known As: 4-tert-butyl-1-methylcyclohexane-1-carboxylic acid, 4-(Tert-butyl)-1-methylcyclohexane-1-carboxylic acid, 4-tert-butyl-1-methylcyclohexanecarboxylic acid, 1-methyl-4-t-butylcyclohexanecarboxylic, (1r,4r)-4-tert-butyl-1-methylcyclohexane-1-carboxylic acid
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.3136 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 216.96645 |
Chemical Identifiers
| CAS Number | 27069-57-4 |
|---|---|
| SMILES | CC1(CCC(CC1)C(C)(C)C)C(=O)O |
Product Overview
(1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid (CAS 27069-57-4), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 4-tert-butyl-1-methylcyclohexane-1-carboxylic acid.
Chemical Property Profile of (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid
Property Insights of (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid
The XLogP value of 3.3136 indicates that (1r,4r)-4-Tert-butyl-1-methylcyclohexane-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, (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid has 1 hydrogen bond donor(s) and 1 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 (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid?
The CAS number of (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid is 27069-57-4.
What is the molecular formula of (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid?
The molecular formula of (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid is C12H22O2.
What is the molecular weight of (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid?
The molecular weight of (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid is 198.16 g/mol.
Where can I buy (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid?
You can request a quote for (1r,4r)-4-Tert-butyl-1-methylcyclohexane-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 (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1r,4r)-4-Tert-butyl-1-methylcyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.