![4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine structure](/static/products/7102/710289-08-0.webp)
4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine
TL;DR: 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS 710289-08-0) is a chemical compound with molecular formula C21H15ClN4O2S and molecular weight 422.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, 3-[(6-chloro(2H-benzo[d]1,3-dioxolen-5-yl))methylthio]-4-phenyl-5-(4-pyridyl)- 1,2,4-triazole, 4-[5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine, 4-[5-[(6-chlorobenzo[1,3]dioxol-5-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C21H15ClN4O2S |
|---|---|
| Molecular Weight | 422.06 g/mol |
| LogP | 5.0037 |
| Topological Polar Surface Area | 62.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.06042 |
| Heavy Atoms | 29 |
| Complexity | 1152.3221 |
Chemical Identifiers
| CAS Number | 710289-08-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)Cl |
Product Overview
4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS 710289-08-0), with molecular formula C21H15ClN4O2S and molecular weight 422.06 g/mol. IUPAC: 4-[5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine
Property Insights of 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine
The XLogP value of 5.0037 indicates that 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine. Following Lipinski's Rule of Five, 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine has 0 hydrogen bond donor(s) and 6 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-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
The CAS number of 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is 710289-08-0.
What is the molecular formula of 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
The molecular formula of 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is C21H15ClN4O2S.
What is the molecular weight of 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
The molecular weight of 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine is 422.06 g/mol.
Where can I buy 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
You can request a quote for 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-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-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.