![ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate structure](/static/products/680/680606-51-3.png)
ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate
TL;DR: ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate (CAS 680606-51-3) is a chemical compound with molecular formula C23H16N2O3S and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoate
Also Known As: ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate, (E)-ethyl 3-(5-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)furan-2-yl)benzoate, ethyl 3-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoate
| Molecular Formula | C23H16N2O3S |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 5.79718 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.08817 |
| Heavy Atoms | 29 |
| Complexity | 1227.3627 |
Chemical Identifiers
| CAS Number | 680606-51-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3 |
Product Overview
ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate (CAS 680606-51-3), with molecular formula C23H16N2O3S and molecular weight 400.09 g/mol. IUPAC: ethyl 3-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoate.
Chemical Property Profile of ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate
Property Insights of ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate
The XLogP value of 5.79718 indicates that ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate. Following Lipinski's Rule of Five, ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}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 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate?
The CAS number of ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate is 680606-51-3.
What is the molecular formula of ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate?
The molecular formula of ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate is C23H16N2O3S.
What is the molecular weight of ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate?
The molecular weight of ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate is 400.09 g/mol.
Where can I buy ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate?
You can request a quote for ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]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 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.