1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone
TL;DR: 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone (CAS 326014-63-5) is a chemical compound with molecular formula C16H14N4OS and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylethanone
Also Known As: 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone, 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylethanone, F0790-0026, A3963/0168915, 2-{[1-(3-METHYLPHENYL)-1H-1,2,3,4-TETRAAZOL-5-YL]SULFANYL}-1-PHENYL-1-ETHANONE
| Molecular Formula | C16H14N4OS |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 2.94572 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.08884 |
| Heavy Atoms | 22 |
| Complexity | 785.6046 |
Chemical Identifiers
| CAS Number | 326014-63-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)C3=CC=CC=C3 |
Product Overview
1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone (CAS 326014-63-5), with molecular formula C16H14N4OS and molecular weight 310.09 g/mol. IUPAC: 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylethanone.
Chemical Property Profile of 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone
Property Insights of 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone
The XLogP value of 2.94572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone has 0 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-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone?
The CAS number of 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone is 326014-63-5.
What is the molecular formula of 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone?
The molecular formula of 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone is C16H14N4OS.
What is the molecular weight of 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone?
The molecular weight of 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone is 310.09 g/mol.
Where can I buy 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone?
You can request a quote for 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-2-((1-(m-tolyl)-1H-tetrazol-5-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.