![2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole structure](/static/products/4529/452948-84-4.webp)
2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole
TL;DR: 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole (CAS 452948-84-4) is a chemical compound with molecular formula C22H16N4S2 and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole
Also Known As: CBKinase1_009780, CBKinase1_022180, AQ-090/41835253, 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole, BRD-K43423459-001-01-2
| Molecular Formula | C22H16N4S2 |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 5.8363 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.08163 |
| Heavy Atoms | 28 |
| Complexity | 1180.2686 |
Chemical Identifiers
| CAS Number | 452948-84-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5S4 |
Product Overview
2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole (CAS 452948-84-4), with molecular formula C22H16N4S2 and molecular weight 400.08 g/mol. IUPAC: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole.
Chemical Property Profile of 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole
Property Insights of 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole
The XLogP value of 5.8363 indicates that 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole?
The CAS number of 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole is 452948-84-4.
What is the molecular formula of 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole?
The molecular formula of 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole is C22H16N4S2.
What is the molecular weight of 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole?
The molecular weight of 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole is 400.08 g/mol.
Where can I buy 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole?
You can request a quote for 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-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 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.