Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate
TL;DR: Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate (CAS 7147-61-7) is a chemical compound with molecular formula C14H21NO5 and molecular weight 283.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate
Also Known As: diethyl m-nitrobenzylidenemalonate, ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate, ethyl 1-[2-(acetyloxy)ethyl]-2-cyano-2-hydroxycyclohexanecarboxylate, Cyclohexanecarboxylicacid, 1-[2-(acetyloxy)ethyl]-2-cyano-2-hydroxy-, ethyl ester, ETHYL 1-[2-(ACETYLOXY)ETHYL]-2-CYANO-2-HYDROXYCYCLOHEXANE-1-CARBOXYLATE
| Molecular Formula | C14H21NO5 |
|---|---|
| Molecular Weight | 283.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 283.14197 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 7147-61-7 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1(C#N)O)CCOC(=O)C |
| InChIKey | DDYXIJSBNQFUKN-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate (CAS 7147-61-7), with molecular formula C14H21NO5 and molecular weight 283.14 g/mol. IUPAC: ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate
Property Insights of Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate has 1 hydrogen bond donor(s) and 6 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 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate?
The CAS number of Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate is 7147-61-7.
What is the molecular formula of Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate?
The molecular formula of Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate is C14H21NO5.
What is the molecular weight of Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate?
The molecular weight of Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate is 283.14 g/mol.
Where can I buy Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate?
You can request a quote for Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2-acetyloxyethyl)-2-cyano-2-hydroxycyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.