2-Methyl-4-(4-methylcyclohexyl)butanoic acid
TL;DR: 2-Methyl-4-(4-methylcyclohexyl)butanoic acid (CAS 54852-77-6) 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.
2-methyl-4-(4-methylcyclohexyl)butanoic acid
Also Known As: 2-Methyl-4-(4-methylcyclohexyl)butanoic acid, alpha,4-Dimethylcyclohexanebutyric acid, Cyclohexanebutanoic acid, .alpha.,4-dimethyl-, 4-(4-Methylcyclohexyl)-2-methylbutyric acid, 2-Methyl-4-(4-methylcyclohexyl)butanoic acid #
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 54852-77-6 |
|---|---|
| SMILES | CC1CCC(CC1)CCC(C)C(=O)O |
| InChIKey | IKSITPRWDWTZQL-UHFFFAOYSA-N |
Product Overview
2-Methyl-4-(4-methylcyclohexyl)butanoic acid (CAS 54852-77-6), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 2-methyl-4-(4-methylcyclohexyl)butanoic acid.
Chemical Property Profile of 2-Methyl-4-(4-methylcyclohexyl)butanoic acid
Property Insights of 2-Methyl-4-(4-methylcyclohexyl)butanoic acid
The XLogP value of 4.2 indicates that 2-Methyl-4-(4-methylcyclohexyl)butanoic 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, 2-Methyl-4-(4-methylcyclohexyl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-(4-methylcyclohexyl)butanoic 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 2-Methyl-4-(4-methylcyclohexyl)butanoic acid?
The CAS number of 2-Methyl-4-(4-methylcyclohexyl)butanoic acid is 54852-77-6.
What is the molecular formula of 2-Methyl-4-(4-methylcyclohexyl)butanoic acid?
The molecular formula of 2-Methyl-4-(4-methylcyclohexyl)butanoic acid is C12H22O2.
What is the molecular weight of 2-Methyl-4-(4-methylcyclohexyl)butanoic acid?
The molecular weight of 2-Methyl-4-(4-methylcyclohexyl)butanoic acid is 198.16 g/mol.
Where can I buy 2-Methyl-4-(4-methylcyclohexyl)butanoic acid?
You can request a quote for 2-Methyl-4-(4-methylcyclohexyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-(4-methylcyclohexyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(4-methylcyclohexyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.