A1117/0052458
TL;DR: A1117/0052458 (CAS 296770-73-5) is a chemical compound with molecular formula C23H19N5OS and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
Also Known As: A1117/0052458, 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide, 2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(1-naphthyl)acetamide, 2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide, 2-({5-ETHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(NAPHTHALEN-1-YL)ACETAMIDE
| Molecular Formula | C23H19N5OS |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 4.8834 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.13104 |
| Heavy Atoms | 30 |
| Complexity | 1389.567 |
Chemical Identifiers
| CAS Number | 296770-73-5 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=CC5=CC=CC=C54 |
Product Overview
A1117/0052458 (CAS 296770-73-5), with molecular formula C23H19N5OS and molecular weight 413.13 g/mol. IUPAC: 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of A1117/0052458
Property Insights of A1117/0052458
The XLogP value of 4.8834 indicates that A1117/0052458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A1117/0052458. Following Lipinski's Rule of Five, A1117/0052458 has 1 hydrogen bond donor(s) and 5 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 A1117/0052458?
The CAS number of A1117/0052458 is 296770-73-5.
What is the molecular formula of A1117/0052458?
The molecular formula of A1117/0052458 is C23H19N5OS.
What is the molecular weight of A1117/0052458?
The molecular weight of A1117/0052458 is 413.13 g/mol.
Where can I buy A1117/0052458?
You can request a quote for A1117/0052458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1117/0052458?
Yes, KEHONG BIO provides custom synthesis services for A1117/0052458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.