![4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide structure](/static/products/3367/336799-89-4.webp)
4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide
TL;DR: 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide (CAS 336799-89-4) is a chemical compound with molecular formula C21H22N6OS and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanamide
Also Known As: 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide, 3-[3-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanamide
| Molecular Formula | C21H22N6OS |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 3.17951 |
| Topological Polar Surface Area | 83.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.1576 |
| Heavy Atoms | 29 |
| Complexity | 1221.1841 |
Chemical Identifiers
| CAS Number | 336799-89-4 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N1CCC3=NN(C(=S)N3C4=CC=CC=C4)CCC(=O)N |
Product Overview
4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide (CAS 336799-89-4), with molecular formula C21H22N6OS and molecular weight 406.16 g/mol. IUPAC: 3-[3-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanamide.
Chemical Property Profile of 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide
Property Insights of 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide
The XLogP value of 3.17951 indicates that 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide. Following Lipinski's Rule of Five, 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide has 1 hydrogen bond donor(s) and 4 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 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide?
The CAS number of 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide is 336799-89-4.
What is the molecular formula of 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide?
The molecular formula of 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide is C21H22N6OS.
What is the molecular weight of 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide?
The molecular weight of 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide is 406.16 g/mol.
Where can I buy 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide?
You can request a quote for 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-3-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-4-phenyl-5-thioxo-1H-1,2,4-triazole-1-propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.