![1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone structure](/static/products/4991/499103-57-0.webp)
1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone
TL;DR: 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone (CAS 499103-57-0) 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.
1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
Also Known As: 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone, 1-(4-fluorophenyl)-2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)ethanone, 1-(4-fluorophenyl)-2-[(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one, 1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone, 1-(4-fluorophenyl)-2-{5-[(4-methoxyphenyl)methylthio](1,3,4-thiadiazol-2-ylthi o)}ethan-1-one
| 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 | 499103-57-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)F |
Product Overview
1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone (CAS 499103-57-0), with molecular formula C18H15FN2O2S3 and molecular weight 406.03 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone
Property Insights of 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone
The XLogP value of 4.9531 indicates that 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)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, 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)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-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
The CAS number of 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone is 499103-57-0.
What is the molecular formula of 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
The molecular formula of 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone is C18H15FN2O2S3.
What is the molecular weight of 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
The molecular weight of 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone is 406.03 g/mol.
Where can I buy 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
You can request a quote for 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.