![1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea structure](/static/products/402/402604-58-4.png)
1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea
TL;DR: 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea (CAS 402604-58-4) is a chemical compound with molecular formula C24H22N6OS2 and molecular weight 474.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylthiourea
Also Known As: 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea, 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylthiourea, 2-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide, 2-[4-(4-methylphenyl)-5-phenyl(1,2,4-triazol-3-ylthio)]-N-{[(phenylamino)thiox omethyl]amino}acetamide, N-phenyl-2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazinecarbothioamide
| Molecular Formula | C24H22N6OS2 |
|---|---|
| Molecular Weight | 474.13 g/mol |
| LogP | 4.35262 |
| Topological Polar Surface Area | 83.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.12964 |
| Heavy Atoms | 33 |
| Complexity | 1227.0713 |
Chemical Identifiers
| CAS Number | 402604-58-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NNC(=S)NC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea (CAS 402604-58-4), with molecular formula C24H22N6OS2 and molecular weight 474.13 g/mol. IUPAC: 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylthiourea.
Chemical Property Profile of 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea
Property Insights of 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea
The XLogP value of 4.35262 indicates that 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea. Following Lipinski's Rule of Five, 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea has 3 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 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea?
The CAS number of 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea is 402604-58-4.
What is the molecular formula of 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea?
The molecular formula of 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea is C24H22N6OS2.
What is the molecular weight of 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea?
The molecular weight of 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea is 474.13 g/mol.
Where can I buy 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea?
You can request a quote for 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.