![N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide structure](/static/products/4049/404914-73-4.webp)
N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
TL;DR: N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide (CAS 404914-73-4) is a chemical compound with molecular formula C19H16N6O3S and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
Also Known As: BAS 02729503, N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide, N-(4-Nitro-phenyl)-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-butyramide, N-(4-NITROPHENYL)-2-{5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YLSULFANYL}BUTANAMIDE, N-{4-nitrophenyl}-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
| Molecular Formula | C19H16N6O3S |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 3.9237 |
| Topological Polar Surface Area | 126.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.10046 |
| Heavy Atoms | 29 |
| Complexity | 1207.7561 |
Chemical Identifiers
| CAS Number | 404914-73-4 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=C(C4=CC=CC=C4N3)N=N2 |
Product Overview
N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide (CAS 404914-73-4), with molecular formula C19H16N6O3S and molecular weight 408.10 g/mol. IUPAC: N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide.
Chemical Property Profile of N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
Property Insights of N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
The XLogP value of 3.9237 indicates that N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide. Following Lipinski's Rule of Five, N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide has 2 hydrogen bond donor(s) and 7 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 N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide?
The CAS number of N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide is 404914-73-4.
What is the molecular formula of N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide?
The molecular formula of N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide is C19H16N6O3S.
What is the molecular weight of N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide?
The molecular weight of N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide is 408.10 g/mol.
Where can I buy N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide?
You can request a quote for N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.