![2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide structure](/static/products/5226/522651-63-4.webp)
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
TL;DR: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 522651-63-4) is a chemical compound with molecular formula C21H17N7O3S2 and molecular weight 479.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Also Known As: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide, 2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide, 2-({5-METHYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)BUTANAMIDE, 2-({5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)BUTANAMIDE
| Molecular Formula | C21H17N7O3S2 |
|---|---|
| Molecular Weight | 479.08 g/mol |
| LogP | 4.5438 |
| Topological Polar Surface Area | 128.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.08344 |
| Heavy Atoms | 33 |
| Complexity | 1545.5437 |
Chemical Identifiers
| CAS Number | 522651-63-4 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC4=C(C5=CC=CC=C5N4C)N=N3 |
Product Overview
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 522651-63-4), with molecular formula C21H17N7O3S2 and molecular weight 479.08 g/mol. IUPAC: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide.
Chemical Property Profile of 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Property Insights of 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
The XLogP value of 4.5438 indicates that 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide has 1 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 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The CAS number of 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 522651-63-4.
What is the molecular formula of 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular formula of 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is C21H17N7O3S2.
What is the molecular weight of 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular weight of 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 479.08 g/mol.
Where can I buy 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
You can request a quote for 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.