1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone
TL;DR: 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone (CAS 300772-46-7) is a chemical compound with molecular formula C17H16N4O3S and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: 1-(3,4-DIMETHOXYPHENYL)-2-((1-PHENYL-1H-TETRAAZOL-5-YL)THIO)ETHANONE, 1-(3,4-dimethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone, 1-(3,4-dimethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone, 1-(3,4-dimethoxyphenyl)-2-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))ethan-1-one
| Molecular Formula | C17H16N4O3S |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 2.6545 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.0943 |
| Heavy Atoms | 25 |
| Complexity | 867.33936 |
Chemical Identifiers
| CAS Number | 300772-46-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3)OC |
Product Overview
1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone (CAS 300772-46-7), with molecular formula C17H16N4O3S and molecular weight 356.09 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone
Property Insights of 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone
The XLogP value of 2.6545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone has 0 hydrogen bond donor(s) and 7 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-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone?
The CAS number of 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone is 300772-46-7.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone?
The molecular formula of 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone is C17H16N4O3S.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone?
The molecular weight of 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone is 356.09 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone?
You can request a quote for 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-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-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.