Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate
TL;DR: Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate (CAS 92155-15-2) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-tert-butyl-2-methylcyclohexane-1-carboxylate
Also Known As: METHYL 4-TERT-BUTYL-2-METHYLCYCLOHEXANECARBOXYLATE, methyl 4-tert-butyl-2-methylcyclohexane-1-carboxylate, Methyl 2-methyl-4-tert-butyl-cyclohexane-1-carboxylate, 667-544-4, RefChem:816585
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 3.2579 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 227.18068 |
Chemical Identifiers
| CAS Number | 92155-15-2 |
|---|---|
| SMILES | CC1CC(CCC1C(=O)OC)C(C)(C)C |
Product Overview
Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate (CAS 92155-15-2), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: methyl 4-tert-butyl-2-methylcyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate
Property Insights of Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate
The XLogP value of 3.2579 indicates that Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate has 0 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 Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate?
The CAS number of Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate is 92155-15-2.
What is the molecular formula of Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate?
The molecular formula of Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate is C13H24O2.
What is the molecular weight of Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate?
The molecular weight of Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate is 212.18 g/mol.
Where can I buy Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate?
You can request a quote for Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-tert-butyl-2-methylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.