(2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide
TL;DR: (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide (CAS 325720-84-1) is a chemical compound with molecular formula C21H20N6OS and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide
Also Known As: (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide, 3-Anilino-2-[5-(morpholin-4-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]-3-sulfanylprop-2-enenitrile, I+/--[Mercapto(phenylamino)methylene]-5-(4-morpholinyl)-4-phenyl-4H-1,2,4-triazole-3-acetonitrile
| Molecular Formula | C21H20N6OS |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 2.87408 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.14194 |
| Heavy Atoms | 29 |
| Complexity | 977.23584 |
Chemical Identifiers
| CAS Number | 325720-84-1 |
|---|---|
| SMILES | C1COCCN1C2=NN/C(=C(/C#N)\C(=S)NC3=CC=CC=C3)/N2C4=CC=CC=C4 |
Product Overview
(2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide (CAS 325720-84-1), with molecular formula C21H20N6OS and molecular weight 404.14 g/mol. IUPAC: (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide.
Chemical Property Profile of (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide
Property Insights of (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide
The XLogP value of 2.87408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide. Following Lipinski's Rule of Five, (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide 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-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide?
The CAS number of (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide is 325720-84-1.
What is the molecular formula of (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide?
The molecular formula of (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide is C21H20N6OS.
What is the molecular weight of (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide?
The molecular weight of (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide is 404.14 g/mol.
Where can I buy (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide?
You can request a quote for (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide 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-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.