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Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate
TL;DR: Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate (CAS 5144-82-1) is a chemical compound with molecular formula C11H17N3O3 and molecular weight 239.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(tert-butylcarbamoylamino)-2-cyanoprop-2-enoate
Also Known As: ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate, ethyl (E)-3-(tert-butylcarbamoylamino)-2-cyanoprop-2-enoate, ethyl (2E)-3-{[(tert-butylamino)carbonyl]amino}-2-cyano-2-propenoate
| Molecular Formula | C11H17N3O3 |
|---|---|
| Molecular Weight | 239.13 g/mol |
| LogP | 1.05468 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.127 |
| Heavy Atoms | 17 |
| Complexity | 361.1384 |
Chemical Identifiers
| CAS Number | 5144-82-1 |
|---|---|
| SMILES | CCOC(=O)/C(=C/NC(=O)NC(C)(C)C)/C#N |
Product Overview
Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate (CAS 5144-82-1), with molecular formula C11H17N3O3 and molecular weight 239.13 g/mol. IUPAC: ethyl (E)-3-(tert-butylcarbamoylamino)-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate
Property Insights of Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate
The XLogP value of 1.05468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate. Following Lipinski's Rule of Five, Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate has 2 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)carbonyl]amino}-2-cyanoacrylate?
The CAS number of Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate is 5144-82-1.
What is the molecular formula of Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate?
The molecular formula of Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate is C11H17N3O3.
What is the molecular weight of Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate?
The molecular weight of Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate is 239.13 g/mol.
Where can I buy Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate?
You can request a quote for Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate 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)carbonyl]amino}-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-{[(tert-butylamino)carbonyl]amino}-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.