![Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate structure](/static/products/785/78501-99-2.png)
Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate
TL;DR: Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate (CAS 78501-99-2) is a chemical compound with molecular formula C15H19NO2S and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(1-thiophen-3-ylcyclohexyl)acetate
Also Known As: ethyl cyano[1-(3-thienyl)cyclohexyl]acetate, ethyl 2-cyano-2-(1-thiophen-3-ylcyclohexyl)acetate, AP-836/41220105
| Molecular Formula | C15H19NO2S |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 3.65288 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.11365 |
| Heavy Atoms | 19 |
| Complexity | 454.99017 |
Chemical Identifiers
| CAS Number | 78501-99-2 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1(CCCCC1)C2=CSC=C2 |
Product Overview
Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate (CAS 78501-99-2), with molecular formula C15H19NO2S and molecular weight 277.11 g/mol. IUPAC: ethyl 2-cyano-2-(1-thiophen-3-ylcyclohexyl)acetate.
Chemical Property Profile of Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate
Property Insights of Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate
The XLogP value of 3.65288 indicates that Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate has 0 hydrogen bond donor(s) and 4 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 cyano[1-(3-thienyl)cyclohexyl]acetate?
The CAS number of Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate is 78501-99-2.
What is the molecular formula of Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate?
The molecular formula of Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate is C15H19NO2S.
What is the molecular weight of Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate?
The molecular weight of Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate is 277.11 g/mol.
Where can I buy Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate?
You can request a quote for Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyano[1-(3-thienyl)cyclohexyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.