1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
TL;DR: 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone (CAS 150282-86-3) 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.
1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: ChemDiv3_005795, IDI1_023705, 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone, 1,2-diphenyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone, AE-641/10394011
| Molecular Formula | C16H13N3OS |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 3.521 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.07794 |
| Heavy Atoms | 21 |
| Complexity | 698.9115 |
Chemical Identifiers
| CAS Number | 150282-86-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)SC3=NC=NN3 |
Product Overview
1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone (CAS 150282-86-3), with molecular formula C16H13N3OS and molecular weight 295.08 g/mol. IUPAC: 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.
Chemical Property Profile of 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Property Insights of 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
The XLogP value of 3.521 indicates that 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone 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 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone?
The CAS number of 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone is 150282-86-3.
What is the molecular formula of 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone?
The molecular formula of 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone is C16H13N3OS.
What is the molecular weight of 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone?
The molecular weight of 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone is 295.08 g/mol.
Where can I buy 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone?
You can request a quote for 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,2-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.