![(2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide structure](/static/products/497/497245-06-4.png)
(2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide
TL;DR: (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide (CAS 497245-06-4) is a chemical compound with molecular formula C17H9F3N2O3S and molecular weight 378.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide
Also Known As: (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide, (2Z)-2-cyano-2-{5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene}ethanamide, (Z)-2-cyano-2-(5-hydroxy-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-2-ylidene)acetamide, 2-CYANO-2-[(2Z)-5-HYDROXY-7-[3-(TRIFLUOROMETHYL)PHENYL]-2H-1,3-BENZOXATHIOL-2-YLIDENE]ACETAMIDE
| Molecular Formula | C17H9F3N2O3S |
|---|---|
| Molecular Weight | 378.03 g/mol |
| LogP | 3.78298 |
| Topological Polar Surface Area | 96.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.0286 |
| Heavy Atoms | 26 |
| Complexity | 993.7232 |
Chemical Identifiers
| CAS Number | 497245-06-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=C3C(=CC(=C2)O)S/C(=C(/C#N)\C(=O)N)/O3 |
Product Overview
(2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide (CAS 497245-06-4), with molecular formula C17H9F3N2O3S and molecular weight 378.03 g/mol. IUPAC: (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide.
Chemical Property Profile of (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide
Property Insights of (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide
The XLogP value of 3.78298 indicates that (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide. Following Lipinski's Rule of Five, (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide has 2 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 (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide?
The CAS number of (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide is 497245-06-4.
What is the molecular formula of (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide?
The molecular formula of (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide is C17H9F3N2O3S.
What is the molecular weight of (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide?
The molecular weight of (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide is 378.03 g/mol.
Where can I buy (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide?
You can request a quote for (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-cyano-2-[5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.