![4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine structure](/static/products/3329/332910-31-3.webp)
4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine
TL;DR: 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS 332910-31-3) is a chemical compound with molecular formula C21H12Cl2N4S and molecular weight 422.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(3,6-dichloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine
Also Known As: BAS 01816319, 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, 4-[5-(3,6-dichloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine, 4-[5-(3,6-Dichloro-benzo[b]thiophen-2-yl)-4-phenyl-4H-[1,2,4]triazol-3-yl]-pyridine
| Molecular Formula | C21H12Cl2N4S |
|---|---|
| Molecular Weight | 422.02 g/mol |
| LogP | 6.5178 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.01596 |
| Heavy Atoms | 28 |
| Complexity | 1280.2759 |
Chemical Identifiers
| CAS Number | 332910-31-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)C5=CC=NC=C5 |
Product Overview
4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS 332910-31-3), with molecular formula C21H12Cl2N4S and molecular weight 422.02 g/mol. IUPAC: 4-[5-(3,6-dichloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine
Property Insights of 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine
The XLogP value of 6.5178 indicates that 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
The CAS number of 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is 332910-31-3.
What is the molecular formula of 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
The molecular formula of 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is C21H12Cl2N4S.
What is the molecular weight of 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
The molecular weight of 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is 422.02 g/mol.
Where can I buy 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
You can request a quote for 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.