2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone
TL;DR: 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone (CAS 690646-24-3) is a chemical compound with molecular formula C17H14N2O2S2 and molecular weight 342.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone
Also Known As: VU0618398-1, F3394-1146, 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethan-1-one, 2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone, 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone
| Molecular Formula | C17H14N2O2S2 |
|---|---|
| Molecular Weight | 342.05 g/mol |
| LogP | 4.61382 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.04968 |
| Heavy Atoms | 23 |
| Complexity | 785.86774 |
Chemical Identifiers
| CAS Number | 690646-24-3 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 |
Product Overview
2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone (CAS 690646-24-3), with molecular formula C17H14N2O2S2 and molecular weight 342.05 g/mol. IUPAC: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone.
Chemical Property Profile of 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone
Property Insights of 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone
The XLogP value of 4.61382 indicates that 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone 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-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone?
The CAS number of 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone is 690646-24-3.
What is the molecular formula of 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone?
The molecular formula of 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone is C17H14N2O2S2.
What is the molecular weight of 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone?
The molecular weight of 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone is 342.05 g/mol.
Where can I buy 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone?
You can request a quote for 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4-phenoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.