2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
TL;DR: 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (CAS 540515-77-3) is a chemical compound with molecular formula C22H20N4OS and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
Also Known As: AO-080/42479828, 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone, 1-mesityl-2-{[1-(1-naphthyl)-1H-tetraazol-5-yl]sulfanyl}ethanone, 2-{[1-(naphthalen-1-yl)-1H-tetrazol-5-yl]sulfanyl}-1-(2,4,6-trimethylphenyl)ethanone
| Molecular Formula | C22H20N4OS |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 4.71576 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.13577 |
| Heavy Atoms | 28 |
| Complexity | 1153.8492 |
Chemical Identifiers
| CAS Number | 540515-77-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43)C |
Product Overview
2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (CAS 540515-77-3), with molecular formula C22H20N4OS and molecular weight 388.14 g/mol. IUPAC: 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.
Chemical Property Profile of 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
Property Insights of 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
The XLogP value of 4.71576 indicates that 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)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 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone. Following Lipinski's Rule of Five, 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)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 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The CAS number of 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is 540515-77-3.
What is the molecular formula of 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The molecular formula of 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is C22H20N4OS.
What is the molecular weight of 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The molecular weight of 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is 388.14 g/mol.
Where can I buy 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
You can request a quote for 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Naphthalen-1-yltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.