N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide
TL;DR: N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide (CAS 477331-39-8) is a chemical compound with molecular formula C18H15N3O3S3 and molecular weight 417.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Also Known As: N-(Benzo[d][1,3]dioxol-5-yl)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)acetamide, N-(1,3-BENZODIOXOL-5-YL)-2-((5-(BENZYLTHIO)-1,3,4-THIADIAZOL-2-YL)THIO)ACETAMIDE, N-(1,3-benzodioxol-5-yl)-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide, N-(1,3-benzodioxol-5-yl)-2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide, N-benzo[1,3]dioxol-5-yl-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C18H15N3O3S3 |
|---|---|
| Molecular Weight | 417.03 g/mol |
| LogP | 4.2899 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.02756 |
| Heavy Atoms | 27 |
| Complexity | 933.8562 |
Chemical Identifiers
| CAS Number | 477331-39-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(S3)SCC4=CC=CC=C4 |
Product Overview
N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide (CAS 477331-39-8), with molecular formula C18H15N3O3S3 and molecular weight 417.03 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide
Property Insights of N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide
The XLogP value of 4.2899 indicates that N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide. Following Lipinski's Rule of Five, N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide has 1 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 N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide?
The CAS number of N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide is 477331-39-8.
What is the molecular formula of N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide?
The molecular formula of N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide is C18H15N3O3S3.
What is the molecular weight of N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide?
The molecular weight of N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide is 417.03 g/mol.
Where can I buy N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide?
You can request a quote for N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzodioxol-5-YL)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.