4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole
TL;DR: 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole (CAS 127399-29-5) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.11505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole, Ethanone, 2-((4-amino-5-((4-methylphenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-, 2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone, 2-({4-Amino-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Technical Specifications
| Molecular Formula | C18H18N4O2S |
| Molecular Weight | 354.11505 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.11505 Da |
| Heavy Atoms | 25 |
| Complexity | 425.0 |
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)C3=CC=CC=C3 |
| InChIKey | RVAWOWGBMRMTOL-UHFFFAOYSA-N |
Chemical Property Profile of 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole
Property Insights of 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole
The XLogP value of 3.3 indicates that 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole. Following Lipinski's Rule of Five, 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole?
The CAS number of 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole is 127399-29-5.
What is the molecular formula of 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole?
The molecular formula of 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole is C18H18N4O2S.
What is the molecular weight of 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole?
The molecular weight of 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole is 354.11505 g/mol.
Where can I buy 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole?
You can request a quote for 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.