![(E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide structure](/static/products/1164/1164556-19-7.webp)
(E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide
TL;DR: (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide (CAS 1164556-19-7) is a chemical compound with molecular formula C21H18N6O3S and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide
Also Known As: (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide, 2-cyano-N-(2,5-dimethylphenyl)-3-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide
| Molecular Formula | C21H18N6O3S |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 4.03702 |
| Topological Polar Surface Area | 126.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.11612 |
| Heavy Atoms | 31 |
| Complexity | 1242.1523 |
Chemical Identifiers
| CAS Number | 1164556-19-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)/C(=C/C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])/C#N |
Product Overview
(E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide (CAS 1164556-19-7), with molecular formula C21H18N6O3S and molecular weight 434.12 g/mol. IUPAC: (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide
Property Insights of (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide
The XLogP value of 4.03702 indicates that (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide has 1 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 (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide?
The CAS number of (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide is 1164556-19-7.
What is the molecular formula of (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide?
The molecular formula of (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide is C21H18N6O3S.
What is the molecular weight of (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide?
The molecular weight of (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide is 434.12 g/mol.
Where can I buy (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide?
You can request a quote for (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.