![ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate structure](/static/products/3135/313520-69-3.webp)
ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
TL;DR: ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate (CAS 313520-69-3) is a chemical compound with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
Also Known As: F0011-0159, ETHYL 4-{5-[(1E)-2-(TERT-BUTYLCARBAMOYL)-2-CYANOETH-1-EN-1-YL]FURAN-2-YL}BENZOATE, (E)-ethyl 4-(5-(3-(tert-butylamino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate, ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate, ethyl p-{5-[(E)-2-cyano-2-(N-tert-butylcarbamoyl)ethenyl]-2-furyl}benzoate
| Molecular Formula | C21H22N2O4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 3.94498 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.15796 |
| Heavy Atoms | 27 |
| Complexity | 893.4982 |
Chemical Identifiers
| CAS Number | 313520-69-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC(C)(C)C |
Product Overview
ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate (CAS 313520-69-3), with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol. IUPAC: ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate.
Chemical Property Profile of ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
Property Insights of ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
The XLogP value of 3.94498 indicates that ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate has 1 hydrogen bond donor(s) and 5 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 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
The CAS number of ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is 313520-69-3.
What is the molecular formula of ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
The molecular formula of ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is C21H22N2O4.
What is the molecular weight of ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
The molecular weight of ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is 366.16 g/mol.
Where can I buy ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
You can request a quote for ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[5-[(E)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.