1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone
TL;DR: 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone (CAS 690646-52-7) is a chemical compound with molecular formula C17H16N4OS and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone, F1142-2936, 1-(3,4-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone, 1-(3,4-dimethylphenyl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethan-1-one
| Molecular Formula | C17H16N4OS |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 3.25414 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.1045 |
| Heavy Atoms | 23 |
| Complexity | 829.61957 |
Chemical Identifiers
| CAS Number | 690646-52-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3)C |
Product Overview
1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone (CAS 690646-52-7), with molecular formula C17H16N4OS and molecular weight 324.10 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone
Property Insights of 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone
The XLogP value of 3.25414 indicates that 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(3,4-dimethylphenyl)-2-((1-phenyl-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-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone?
The CAS number of 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone is 690646-52-7.
What is the molecular formula of 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone?
The molecular formula of 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone is C17H16N4OS.
What is the molecular weight of 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone?
The molecular weight of 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone is 324.10 g/mol.
Where can I buy 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone?
You can request a quote for 1-(3,4-dimethylphenyl)-2-((1-phenyl-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-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethylphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.