2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone
TL;DR: 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone (CAS 326013-89-2) is a chemical compound with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
Also Known As: IFLab1_003752, IDI1_009859, 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone, F0807-0376, 2-{[1-(4-ethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-1-(2,4,6-trimethylphenyl)ethan-1-one
| Molecular Formula | C20H22N4O2S |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 3.96126 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.14636 |
| Heavy Atoms | 27 |
| Complexity | 927.8656 |
Chemical Identifiers
| CAS Number | 326013-89-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=C(C=C(C=C3C)C)C |
Product Overview
2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone (CAS 326013-89-2), with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol. IUPAC: 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.
Chemical Property Profile of 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone
Property Insights of 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone
The XLogP value of 3.96126 indicates that 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone. Following Lipinski's Rule of Five, 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone has 0 hydrogen bond donor(s) and 6 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 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone?
The CAS number of 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone is 326013-89-2.
What is the molecular formula of 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone?
The molecular formula of 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone is C20H22N4O2S.
What is the molecular weight of 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone?
The molecular weight of 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone is 382.15 g/mol.
Where can I buy 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone?
You can request a quote for 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)thio)-1-mesitylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.