2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone
TL;DR: 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone (CAS 477329-63-8) is a chemical compound with molecular formula C18H15FN2O2S3 and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: 2-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(4-methoxyphenyl)ethanone, 2-({5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone, 2-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone, 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone, 2-({5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)-1-(4-methoxyphenyl)ethanone
| Molecular Formula | C18H15FN2O2S3 |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 4.9531 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.02798 |
| Heavy Atoms | 26 |
| Complexity | 866.9025 |
Chemical Identifiers
| CAS Number | 477329-63-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)F |
Product Overview
2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone (CAS 477329-63-8), with molecular formula C18H15FN2O2S3 and molecular weight 406.03 g/mol. IUPAC: 2-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone
Property Insights of 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone
The XLogP value of 4.9531 indicates that 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)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-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)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 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone?
The CAS number of 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone is 477329-63-8.
What is the molecular formula of 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone?
The molecular formula of 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone is C18H15FN2O2S3.
What is the molecular weight of 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone?
The molecular weight of 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone is 406.03 g/mol.
Where can I buy 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone?
You can request a quote for 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)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-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((4-F-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-methoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.