![Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate structure](/static/products/300/300390-89-0.png)
Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate
TL;DR: Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate (CAS 300390-89-0) is a chemical compound with molecular formula C33H45NO5 and molecular weight 535.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(E)-2-cyano-3-hexadecoxy-3-oxoprop-1-enyl]furan-2-yl]benzoate
Also Known As: Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate, (E)-ethyl 4-(5-(2-cyano-3-(hexadecyloxy)-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate, ethyl 4-[5-[(E)-2-cyano-3-hexadecoxy-3-oxoprop-1-enyl]furan-2-yl]benzoate, ethyl 4-{5-[(1E)-2-cyano-3-(hexadecyloxy)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
| Molecular Formula | C33H45NO5 |
|---|---|
| Molecular Weight | 535.33 g/mol |
| LogP | 9.05478 |
| Topological Polar Surface Area | 89.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 535.3298 |
| Heavy Atoms | 39 |
| Complexity | 1044.7917 |
Chemical Identifiers
| CAS Number | 300390-89-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC)/C#N |
Product Overview
Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate (CAS 300390-89-0), with molecular formula C33H45NO5 and molecular weight 535.33 g/mol. IUPAC: ethyl 4-[5-[(E)-2-cyano-3-hexadecoxy-3-oxoprop-1-enyl]furan-2-yl]benzoate.
Chemical Property Profile of Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate
Property Insights of Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate
The XLogP value of 9.05478 indicates that Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate?
The CAS number of Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate is 300390-89-0.
What is the molecular formula of Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate?
The molecular formula of Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate is C33H45NO5.
What is the molecular weight of Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate?
The molecular weight of Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate is 535.33 g/mol.
Where can I buy Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate?
You can request a quote for Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]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-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[5-(2-cyano-2-hexadecoxycarbonyl-ethenyl)-2-furyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.