![ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate structure](/static/products/6851/685107-62-4.webp)
ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate
TL;DR: ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate (CAS 685107-62-4) is a chemical compound with molecular formula C19H13FN2O3 and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]prop-2-enoate
Also Known As: ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate, ethyl 2-cyano-3-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]prop-2-enoate, Ethyl 2-cyano-3-[3-(4-fluorophenyl)benzo[c]isoxazol-5-yl]prop-2-enoate
| Molecular Formula | C19H13FN2O3 |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 4.10398 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.09103 |
| Heavy Atoms | 25 |
| Complexity | 997.6763 |
Chemical Identifiers
| CAS Number | 685107-62-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC2=C(ON=C2C=C1)C3=CC=C(C=C3)F)C#N |
Product Overview
ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate (CAS 685107-62-4), with molecular formula C19H13FN2O3 and molecular weight 336.09 g/mol. IUPAC: ethyl 2-cyano-3-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]prop-2-enoate.
Chemical Property Profile of ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate
Property Insights of ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate
The XLogP value of 4.10398 indicates that ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate 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 (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate. Following Lipinski's Rule of Five, ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate has 0 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 (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate?
The CAS number of ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate is 685107-62-4.
What is the molecular formula of ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate?
The molecular formula of ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate is C19H13FN2O3.
What is the molecular weight of ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate?
The molecular weight of ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate is 336.09 g/mol.
Where can I buy ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate?
You can request a quote for ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (Z)-2-cyano-3-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.