A1961/0082475
TL;DR: A1961/0082475 (CAS 300689-25-2) is a chemical compound with molecular formula C24H20N6OS and molecular weight 440.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide
Also Known As: A1961/0082475, 2-(9-Benzyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-N-(4-methyl-pyridin-2-yl)-acetamide, 2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-methylpyridin-2-yl)acetamide, 2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-methylpyridin-2-yl)acetamide, 2-({5-BENZYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(4-METHYLPYRIDIN-2-YL)ACETAMIDE
| Molecular Formula | C24H20N6OS |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 4.46202 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.14194 |
| Heavy Atoms | 32 |
| Complexity | 1416.5112 |
Chemical Identifiers
| CAS Number | 300689-25-2 |
|---|---|
| SMILES | CC1=CC(=NC=C1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2 |
Product Overview
A1961/0082475 (CAS 300689-25-2), with molecular formula C24H20N6OS and molecular weight 440.14 g/mol. IUPAC: 2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide.
Chemical Property Profile of A1961/0082475
Property Insights of A1961/0082475
The XLogP value of 4.46202 indicates that A1961/0082475 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 A1961/0082475. Following Lipinski's Rule of Five, A1961/0082475 has 1 hydrogen bond donor(s) and 6 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 A1961/0082475?
The CAS number of A1961/0082475 is 300689-25-2.
What is the molecular formula of A1961/0082475?
The molecular formula of A1961/0082475 is C24H20N6OS.
What is the molecular weight of A1961/0082475?
The molecular weight of A1961/0082475 is 440.14 g/mol.
Where can I buy A1961/0082475?
You can request a quote for A1961/0082475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1961/0082475?
Yes, KEHONG BIO provides custom synthesis services for A1961/0082475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.