![3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole structure](/static/products/4052/40527-72-8.webp)
3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
TL;DR: 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 40527-72-8) is a chemical compound with molecular formula C15H11N3S2 and molecular weight 297.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: BAS 03049575, 3-(benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole, AF-399/40881208, 3-(benzylthio)benzo[4,5]thiazolo[2,3-c][1,2,4]triazole, 1-benzylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
| Molecular Formula | C15H11N3S2 |
|---|---|
| Molecular Weight | 297.04 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.03943 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 40527-72-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C3N2C4=CC=CC=C4S3 |
| InChIKey | HPIWWGFHNDQKLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 40527-72-8), with molecular formula C15H11N3S2 and molecular weight 297.04 g/mol. IUPAC: 1-benzylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Property Insights of 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
The XLogP value of 5.0 indicates that 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole. Following Lipinski's Rule of Five, 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole has 0 hydrogen bond donor(s) and 4 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 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The CAS number of 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole is 40527-72-8.
What is the molecular formula of 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular formula of 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole is C15H11N3S2.
What is the molecular weight of 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular weight of 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole is 297.04 g/mol.
Where can I buy 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
You can request a quote for 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.