![5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole structure](/static/products/3328/332872-22-7.webp)
5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
TL;DR: 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole (CAS 332872-22-7) is a chemical compound with molecular formula C23H17ClN4S and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-[(2-chlorophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole
Also Known As: 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole, 5-benzyl-3-[(2-chlorophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole, A1890/0079379, 5-BENZYL-3-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-[1,2,4]TRIAZINO[5,6-B]INDOLE
| Molecular Formula | C23H17ClN4S |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 5.9735 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.08624 |
| Heavy Atoms | 29 |
| Complexity | 1300.5385 |
Chemical Identifiers
| CAS Number | 332872-22-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=N4)SCC5=CC=CC=C5Cl |
Product Overview
5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole (CAS 332872-22-7), with molecular formula C23H17ClN4S and molecular weight 416.09 g/mol. IUPAC: 5-benzyl-3-[(2-chlorophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole.
Chemical Property Profile of 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Property Insights of 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
The XLogP value of 5.9735 indicates that 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole 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 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole?
The CAS number of 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is 332872-22-7.
What is the molecular formula of 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole?
The molecular formula of 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is C23H17ClN4S.
What is the molecular weight of 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole?
The molecular weight of 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is 416.09 g/mol.
Where can I buy 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole?
You can request a quote for 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 5-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.