Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate
TL;DR: Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate (CAS 60642-15-1) is a chemical compound with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(tert-butylamino)-2-cyanoprop-2-enoate
Also Known As: ethyl 3-((tert-butyl)amino)-2-nitriloprop-2-enoate, Ethyl 2-cyano-3-(tert-butylamino)prop-2-enoate, ethyl 3-(tert-butylamino)-2-cyanoprop-2-enoate, ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate
| Molecular Formula | C10H16N2O2 |
|---|---|
| Molecular Weight | 196.12 g/mol |
| LogP | 1.34508 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.12119 |
| Heavy Atoms | 14 |
| Complexity | 268.82703 |
Chemical Identifiers
| CAS Number | 60642-15-1 |
|---|---|
| SMILES | CCOC(=O)C(=CNC(C)(C)C)C#N |
Product Overview
Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate (CAS 60642-15-1), with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol. IUPAC: ethyl 3-(tert-butylamino)-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate
Property Insights of Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate
The XLogP value of 1.34508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate has 1 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 3-(tert-butylamino)-2-cyano-prop-2-enoate?
The CAS number of Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate is 60642-15-1.
What is the molecular formula of Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate?
The molecular formula of Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate is C10H16N2O2.
What is the molecular weight of Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate?
The molecular weight of Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate is 196.12 g/mol.
Where can I buy Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate?
You can request a quote for Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(tert-butylamino)-2-cyano-prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.