![(2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide structure](/static/products/496/496799-36-1.png)
(2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide
TL;DR: (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide (CAS 496799-36-1) is a chemical compound with molecular formula C16H9N3O5S and molecular weight 355.03 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-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide
Also Known As: (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide, (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]ethanamide, (Z)-2-cyano-2-(5-hydroxy-7-(4-nitrophenyl)benzo[d][1,3]oxathiol-2-ylidene)acetamide, 2-CYANO-2-[(2Z)-5-HYDROXY-7-(4-NITROPHENYL)-2H-1,3-BENZOXATHIOL-2-YLIDENE]ACETAMIDE
| Molecular Formula | C16H9N3O5S |
|---|---|
| Molecular Weight | 355.03 g/mol |
| LogP | 2.67238 |
| Topological Polar Surface Area | 139.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.0263 |
| Heavy Atoms | 25 |
| Complexity | 976.50006 |
Chemical Identifiers
| CAS Number | 496799-36-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C3C(=CC(=C2)O)S/C(=C(/C#N)\C(=O)N)/O3)[N+](=O)[O-] |
Product Overview
(2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide (CAS 496799-36-1), with molecular formula C16H9N3O5S and molecular weight 355.03 g/mol. IUPAC: (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide.
Chemical Property Profile of (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide
Property Insights of (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide
The XLogP value of 2.67238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide. The TPSA of 139.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide. Following Lipinski's Rule of Five, (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide has 2 hydrogen bond donor(s) and 7 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-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide?
The CAS number of (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide is 496799-36-1.
What is the molecular formula of (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide?
The molecular formula of (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide is C16H9N3O5S.
What is the molecular weight of (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide?
The molecular weight of (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide is 355.03 g/mol.
Where can I buy (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide?
You can request a quote for (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-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-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-ylidene]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.