![N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide structure](/static/products/4049/404914-92-7.webp)
N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide (CAS 404914-92-7) is a chemical compound with molecular formula C22H20N6OS2 and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Also Known As: N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide, N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide, N-(1,3-BENZOTHIAZOL-2-YL)-2-({5-ETHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)BUTANAMIDE
| Molecular Formula | C22H20N6OS2 |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 5.1185 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.114 |
| Heavy Atoms | 31 |
| Complexity | 1376.4714 |
Chemical Identifiers
| CAS Number | 404914-92-7 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NC4=C(C5=CC=CC=C5N4CC)N=N3 |
Product Overview
N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide (CAS 404914-92-7), with molecular formula C22H20N6OS2 and molecular weight 448.11 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
The XLogP value of 5.1185 indicates that N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide is 404914-92-7.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide is C22H20N6OS2.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide is 448.11 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.