4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate
TL;DR: 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate (CAS 129175-17-3) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylcyclohexyl) 2-pyridin-4-ylacetate
Also Known As: t-Bhpa, 4-tert-Butylcyclohexyl 4-pyridylacetate, 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate, (4-tert-butylcyclohexyl) 2-pyridin-4-ylacetate, 4-tert-Butylcyclohexyl (pyridin-4-yl)acetate
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 129175-17-3 |
|---|---|
| SMILES | CC(C)(C)C1CCC(CC1)OC(=O)CC2=CC=NC=C2 |
| InChIKey | IKQALCFUJBVZDS-UHFFFAOYSA-N |
Product Overview
4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate (CAS 129175-17-3), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: (4-tert-butylcyclohexyl) 2-pyridin-4-ylacetate.
Chemical Property Profile of 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate
Property Insights of 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate
The XLogP value of 3.9 indicates that 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate has 0 hydrogen bond donor(s) and 3 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 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate?
The CAS number of 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate is 129175-17-3.
What is the molecular formula of 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate?
The molecular formula of 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate is C17H25NO2.
What is the molecular weight of 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate?
The molecular weight of 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate is 275.19 g/mol.
Where can I buy 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate?
You can request a quote for 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-Dimethylethyl)cyclohexyl 4-pyridineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.