Ethyl 3-cyclohexylprop-2-ynoate
TL;DR: Ethyl 3-cyclohexylprop-2-ynoate (CAS 33547-94-3) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyclohexylprop-2-ynoate
Also Known As: ethyl 3-cyclohexylprop-2-ynoate, ethyl cyclohexylpropiolate, Ethyl 3-cyclohexylpropiolate, ethyl 3-cyclohexyl propiolate, Cyclohexylpropiolic acid ethyl ester
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 33547-94-3 |
|---|---|
| SMILES | CCOC(=O)C#CC1CCCCC1 |
| InChIKey | QNOIVAQBXFLXGN-UHFFFAOYSA-N |
Product Overview
Ethyl 3-cyclohexylprop-2-ynoate (CAS 33547-94-3), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: ethyl 3-cyclohexylprop-2-ynoate.
Chemical Property Profile of Ethyl 3-cyclohexylprop-2-ynoate
Property Insights of Ethyl 3-cyclohexylprop-2-ynoate
The XLogP value of 3.6 indicates that Ethyl 3-cyclohexylprop-2-ynoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-cyclohexylprop-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-cyclohexylprop-2-ynoate 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 Ethyl 3-cyclohexylprop-2-ynoate?
The CAS number of Ethyl 3-cyclohexylprop-2-ynoate is 33547-94-3.
What is the molecular formula of Ethyl 3-cyclohexylprop-2-ynoate?
The molecular formula of Ethyl 3-cyclohexylprop-2-ynoate is C11H16O2.
What is the molecular weight of Ethyl 3-cyclohexylprop-2-ynoate?
The molecular weight of Ethyl 3-cyclohexylprop-2-ynoate is 180.12 g/mol.
Where can I buy Ethyl 3-cyclohexylprop-2-ynoate?
You can request a quote for Ethyl 3-cyclohexylprop-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyclohexylprop-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyclohexylprop-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.