Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate
TL;DR: Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate (CAS 10411-93-5) 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.
(4-tert-butylcyclohexyl) propanoate
Also Known As: p-t-Butylcyclohexyl propionate, 4-tert-Butylcyclohexyl propionate, (4-tert-butylcyclohexyl) propanoate, CYCLODECYL PROPIONATE, 4-tert-butylcyclohexylpropionate
| 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 | 207.0 |
Chemical Identifiers
| CAS Number | 10411-93-5 |
|---|---|
| SMILES | CCC(=O)OC1CCC(CC1)C(C)(C)C |
| InChIKey | QYJZYJNCDKAFJR-UHFFFAOYSA-N |
Product Overview
Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate (CAS 10411-93-5), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: (4-tert-butylcyclohexyl) propanoate.
Chemical Property Profile of Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate
Property Insights of Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate
The XLogP value of 3.8 indicates that Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-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, Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-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 Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate?
The CAS number of Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate is 10411-93-5.
What is the molecular formula of Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate?
The molecular formula of Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate is C13H24O2.
What is the molecular weight of Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate?
The molecular weight of Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate is 212.18 g/mol.
Where can I buy Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate?
You can request a quote for Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.