1-Ethynylcyclohexyl benzoate
TL;DR: 1-Ethynylcyclohexyl benzoate (CAS 26402-23-3) is a chemical compound with molecular formula C15H16O2 and molecular weight 228.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethynylcyclohexyl) benzoate
Also Known As: 1-ethynylcyclohexyl benzoate, (1-ethynylcyclohexyl) benzoate, N-(2-Aminoethyl)methanesulfonamide, Cyclohexanol,1-ethynyl-,1-benzoate, Cyclohexanol,1-ethynyl-, 1-benzoate
| Molecular Formula | C15H16O2 |
|---|---|
| Molecular Weight | 228.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.11504 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 26402-23-3 |
|---|---|
| SMILES | C#CC1(CCCCC1)OC(=O)C2=CC=CC=C2 |
| InChIKey | PSCIBDKASFWWDB-UHFFFAOYSA-N |
Product Overview
1-Ethynylcyclohexyl benzoate (CAS 26402-23-3), with molecular formula C15H16O2 and molecular weight 228.12 g/mol. IUPAC: (1-ethynylcyclohexyl) benzoate.
Chemical Property Profile of 1-Ethynylcyclohexyl benzoate
Property Insights of 1-Ethynylcyclohexyl benzoate
The XLogP value of 3.5 indicates that 1-Ethynylcyclohexyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Ethynylcyclohexyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynylcyclohexyl benzoate 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 1-Ethynylcyclohexyl benzoate?
The CAS number of 1-Ethynylcyclohexyl benzoate is 26402-23-3.
What is the molecular formula of 1-Ethynylcyclohexyl benzoate?
The molecular formula of 1-Ethynylcyclohexyl benzoate is C15H16O2.
What is the molecular weight of 1-Ethynylcyclohexyl benzoate?
The molecular weight of 1-Ethynylcyclohexyl benzoate is 228.12 g/mol.
Where can I buy 1-Ethynylcyclohexyl benzoate?
You can request a quote for 1-Ethynylcyclohexyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethynylcyclohexyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynylcyclohexyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.