2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone
TL;DR: 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone (CAS 499103-85-4) is a chemical compound with molecular formula C18H16N2O2S3 and molecular weight 388.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone, 2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-phenylethanone, 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanone
| Molecular Formula | C18H16N2O2S3 |
|---|---|
| Molecular Weight | 388.04 g/mol |
| LogP | 4.814 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.03738 |
| Heavy Atoms | 25 |
| Complexity | 819.8523 |
Chemical Identifiers
| CAS Number | 499103-85-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)C3=CC=CC=C3 |
Product Overview
2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone (CAS 499103-85-4), with molecular formula C18H16N2O2S3 and molecular weight 388.04 g/mol. IUPAC: 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone
Property Insights of 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone
The XLogP value of 4.814 indicates that 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone 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-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone 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-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone?
The CAS number of 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone is 499103-85-4.
What is the molecular formula of 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone?
The molecular formula of 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone is C18H16N2O2S3.
What is the molecular weight of 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone?
The molecular weight of 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone is 388.04 g/mol.
Where can I buy 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone?
You can request a quote for 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone 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-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.