1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone
TL;DR: 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone (CAS 477333-47-4) is a chemical compound with molecular formula C18H14N2O3S3 and molecular weight 402.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Also Known As: 1-(1,3-benzodioxol-5-yl)-2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}ethanone, 1-(benzo[d][1,3]dioxol-5-yl)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)ethanone, AS-871/41323434, 1-(1,3-BENZODIOXOL-5-YL)-2-((5-(BENZYLTHIO)-1,3,4-THIADIAZOL-2-YL)THIO)ETHANONE, 1-(1,3-benzodioxol-5-yl)-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
| Molecular Formula | C18H14N2O3S3 |
|---|---|
| Molecular Weight | 402.02 g/mol |
| LogP | 4.5341 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.01666 |
| Heavy Atoms | 26 |
| Complexity | 915.0546 |
Chemical Identifiers
| CAS Number | 477333-47-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C(S3)SCC4=CC=CC=C4 |
Product Overview
1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone (CAS 477333-47-4), with molecular formula C18H14N2O3S3 and molecular weight 402.02 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone
Property Insights of 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone
The XLogP value of 4.5341 indicates that 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone has 0 hydrogen bond donor(s) and 8 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-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone?
The CAS number of 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone is 477333-47-4.
What is the molecular formula of 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone?
The molecular formula of 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone is C18H14N2O3S3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone?
The molecular weight of 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone is 402.02 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone?
You can request a quote for 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.