1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide
TL;DR: 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide (CAS 720672-61-7) is a chemical compound with molecular formula C16H13N3OS and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-phenylmethanone
Also Known As: 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide, AE-848/42278440, (5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-phenylmethanone, [5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone, (5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-phenyl-methanone
| Molecular Formula | C16H13N3OS |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 3.3555 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.07794 |
| Heavy Atoms | 21 |
| Complexity | 753.70795 |
Chemical Identifiers
| CAS Number | 720672-61-7 |
|---|---|
| SMILES | CSC1=NC(=NN1C(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide (CAS 720672-61-7), with molecular formula C16H13N3OS and molecular weight 295.08 g/mol. IUPAC: (5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-phenylmethanone.
Chemical Property Profile of 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide
Property Insights of 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide
The XLogP value of 3.3555 indicates that 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide has 0 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 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide?
The CAS number of 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide is 720672-61-7.
What is the molecular formula of 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide?
The molecular formula of 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide is C16H13N3OS.
What is the molecular weight of 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide?
The molecular weight of 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide is 295.08 g/mol.
Where can I buy 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide?
You can request a quote for 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide?
Yes, KEHONG BIO provides custom synthesis services for 1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.