![5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole structure](/static/products/3328/332872-19-2.webp)
5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole
TL;DR: 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole (CAS 332872-19-2) is a chemical compound with molecular formula C23H17N5O2S and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole
Also Known As: 5-benzyl-3-[(4-nitrobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole, 5-benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole, 5-BENZYL-3-{[(4-NITROPHENYL)METHYL]SULFANYL}-[1,2,4]TRIAZINO[5,6-B]INDOLE
| Molecular Formula | C23H17N5O2S |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | 5.2283 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.1103 |
| Heavy Atoms | 31 |
| Complexity | 1384.3202 |
Chemical Identifiers
| CAS Number | 332872-19-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=N4)SCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole (CAS 332872-19-2), with molecular formula C23H17N5O2S and molecular weight 427.11 g/mol. IUPAC: 5-benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole.
Chemical Property Profile of 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole
Property Insights of 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole
The XLogP value of 5.2283 indicates that 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole. Following Lipinski's Rule of Five, 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole 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 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole?
The CAS number of 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole is 332872-19-2.
What is the molecular formula of 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole?
The molecular formula of 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole is C23H17N5O2S.
What is the molecular weight of 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole?
The molecular weight of 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole is 427.11 g/mol.
Where can I buy 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole?
You can request a quote for 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[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-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.