![1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one structure](/static/products/3260/326025-31-4.webp)
1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one
TL;DR: 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one (CAS 326025-31-4) is a chemical compound with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one
Also Known As: AF-399/37330017, 3-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)-1-benzoylazepan-2-one, F0745-0642, 1-benzoyl-3-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}azepan-2-one, 1-benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one
| Molecular Formula | C21H18N4O2S2 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.2576 |
| Topological Polar Surface Area | 67.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.08713 |
| Heavy Atoms | 29 |
| Complexity | 1201.3278 |
Chemical Identifiers
| CAS Number | 326025-31-4 |
|---|---|
| SMILES | C1CCN(C(=O)C(C1)SC2=NN=C3N2C4=CC=CC=C4S3)C(=O)C5=CC=CC=C5 |
Product Overview
1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one (CAS 326025-31-4), with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol. IUPAC: 1-benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one.
Chemical Property Profile of 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one
Property Insights of 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one
The XLogP value of 4.2576 indicates that 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one. Following Lipinski's Rule of Five, 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one has 0 hydrogen bond donor(s) and 6 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-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one?
The CAS number of 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one is 326025-31-4.
What is the molecular formula of 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one?
The molecular formula of 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one is C21H18N4O2S2.
What is the molecular weight of 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one?
The molecular weight of 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one is 422.09 g/mol.
Where can I buy 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one?
You can request a quote for 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.