![3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole structure](/static/products/5226/522651-16-7.webp)
3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole
TL;DR: 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole (CAS 522651-16-7) is a chemical compound with molecular formula C19H17N5O2S and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole
Also Known As: 3-[(4-nitrobenzyl)sulfanyl]-5-propyl-5H-[1,2,4]triazino[5,6-b]indole, 3-[(4-nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole
| Molecular Formula | C19H17N5O2S |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 4.59 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.1103 |
| Heavy Atoms | 27 |
| Complexity | 1124.3206 |
Chemical Identifiers
| CAS Number | 522651-16-7 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole (CAS 522651-16-7), with molecular formula C19H17N5O2S and molecular weight 379.11 g/mol. IUPAC: 3-[(4-nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole.
Chemical Property Profile of 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole
Property Insights of 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole
The XLogP value of 4.59 indicates that 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[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 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole. Following Lipinski's Rule of Five, 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole?
The CAS number of 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole is 522651-16-7.
What is the molecular formula of 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole?
The molecular formula of 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole is C19H17N5O2S.
What is the molecular weight of 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole?
The molecular weight of 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole is 379.11 g/mol.
Where can I buy 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole?
You can request a quote for 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[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 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Nitrophenyl)methylsulfanyl]-5-propyl-[1,2,4]triazino[5,6-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.