![N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide structure](/static/products/522/522651-51-0.png)
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
TL;DR: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide (CAS 522651-51-0) is a chemical compound with molecular formula C20H15N7O3S2 and molecular weight 465.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
Also Known As: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide, N-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)-2-{5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YLSULFANYL}BUTANAMIDE
| Molecular Formula | C20H15N7O3S2 |
|---|---|
| Molecular Weight | 465.07 g/mol |
| LogP | 4.5334 |
| Topological Polar Surface Area | 139.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.06778 |
| Heavy Atoms | 32 |
| Complexity | 1496.952 |
Chemical Identifiers
| CAS Number | 522651-51-0 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC4=C(C5=CC=CC=C5N4)N=N3 |
Product Overview
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide (CAS 522651-51-0), with molecular formula C20H15N7O3S2 and molecular weight 465.07 g/mol. IUPAC: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide.
Chemical Property Profile of N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
Property Insights of N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
The XLogP value of 4.5334 indicates that N-(6-nitro-1,3-benzothiazol-2-yl)-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 139.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide. Following Lipinski's Rule of Five, N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide has 2 hydrogen bond donor(s) and 9 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-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide?
The CAS number of N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide is 522651-51-0.
What is the molecular formula of N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide?
The molecular formula of N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide is C20H15N7O3S2.
What is the molecular weight of N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide?
The molecular weight of N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide is 465.07 g/mol.
Where can I buy N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide?
You can request a quote for N-(6-nitro-1,3-benzothiazol-2-yl)-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-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-nitro-1,3-benzothiazol-2-yl)-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.