alpha,alpha,4-Trimethylcyclohexylmethyl propanoate
TL;DR: alpha,alpha,4-Trimethylcyclohexylmethyl propanoate (CAS 6756-90-7) 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.
2-(4-methylcyclohexyl)propan-2-yl propanoate
Also Known As: ethyl ethylsulfonothiolate, 2-(4-methylcyclohexyl)propan-2-yl propanoate, alpha,alpha,4-Trimethylcyclohexylmethyl propanoate, J2.233.289I, J2.233.290B
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 6756-90-7 |
|---|---|
| SMILES | CCC(=O)OC(C)(C)C1CCC(CC1)C |
| InChIKey | YNOVKKTULYUOOO-UHFFFAOYSA-N |
Product Overview
alpha,alpha,4-Trimethylcyclohexylmethyl propanoate (CAS 6756-90-7), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: 2-(4-methylcyclohexyl)propan-2-yl propanoate.
Chemical Property Profile of alpha,alpha,4-Trimethylcyclohexylmethyl propanoate
Property Insights of alpha,alpha,4-Trimethylcyclohexylmethyl propanoate
The XLogP value of 3.8 indicates that alpha,alpha,4-Trimethylcyclohexylmethyl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, alpha,alpha,4-Trimethylcyclohexylmethyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha,4-Trimethylcyclohexylmethyl propanoate 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 alpha,alpha,4-Trimethylcyclohexylmethyl propanoate?
The CAS number of alpha,alpha,4-Trimethylcyclohexylmethyl propanoate is 6756-90-7.
What is the molecular formula of alpha,alpha,4-Trimethylcyclohexylmethyl propanoate?
The molecular formula of alpha,alpha,4-Trimethylcyclohexylmethyl propanoate is C13H24O2.
What is the molecular weight of alpha,alpha,4-Trimethylcyclohexylmethyl propanoate?
The molecular weight of alpha,alpha,4-Trimethylcyclohexylmethyl propanoate is 212.18 g/mol.
Where can I buy alpha,alpha,4-Trimethylcyclohexylmethyl propanoate?
You can request a quote for alpha,alpha,4-Trimethylcyclohexylmethyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha,4-Trimethylcyclohexylmethyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha,4-Trimethylcyclohexylmethyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.