Ethyl 2-Cyano-2-methylpropionate
TL;DR: Ethyl 2-Cyano-2-methylpropionate (CAS 1572-98-1) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-methylpropanoate
Also Known As: ethyl 2-cyano-2-methylpropanoate, Ethyl 2-Cyano-2-methylpropionate, 2-Cyano-2-methylpropionic Acid Ethyl Ester, ethyl 2-cyano-2,2-dimethylacetate, ETHYL 2,2-DIMETHYLCYANOACETATE
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 1572-98-1 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)C#N |
| InChIKey | FYGRPGOHQCPZCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-Cyano-2-methylpropionate (CAS 1572-98-1), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: ethyl 2-cyano-2-methylpropanoate.
Chemical Property Profile of Ethyl 2-Cyano-2-methylpropionate
Property Insights of Ethyl 2-Cyano-2-methylpropionate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-Cyano-2-methylpropionate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 2-Cyano-2-methylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-Cyano-2-methylpropionate 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 Ethyl 2-Cyano-2-methylpropionate?
The CAS number of Ethyl 2-Cyano-2-methylpropionate is 1572-98-1.
What is the molecular formula of Ethyl 2-Cyano-2-methylpropionate?
The molecular formula of Ethyl 2-Cyano-2-methylpropionate is C7H11NO2.
What is the molecular weight of Ethyl 2-Cyano-2-methylpropionate?
The molecular weight of Ethyl 2-Cyano-2-methylpropionate is 141.08 g/mol.
Where can I buy Ethyl 2-Cyano-2-methylpropionate?
You can request a quote for Ethyl 2-Cyano-2-methylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-Cyano-2-methylpropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-Cyano-2-methylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.