AB00678586-01
TL;DR: AB00678586-01 (CAS 891106-49-3) is a chemical compound with molecular formula C19H16N6OS and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
Also Known As: AB00678586-01, F2507-0328, 2-((6-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-N-(o-tolyl)acetamide, N-(2-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide, N-(2-methylphenyl)-2-{[6-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
| Molecular Formula | C19H16N6OS |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 3.22552 |
| Topological Polar Surface Area | 85.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.11063 |
| Heavy Atoms | 27 |
| Complexity | 1095.769 |
Chemical Identifiers
| CAS Number | 891106-49-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 |
Product Overview
AB00678586-01 (CAS 891106-49-3), with molecular formula C19H16N6OS and molecular weight 376.11 g/mol. IUPAC: N-(2-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00678586-01
Property Insights of AB00678586-01
The XLogP value of 3.22552 indicates that AB00678586-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678586-01. Following Lipinski's Rule of Five, AB00678586-01 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 AB00678586-01?
The CAS number of AB00678586-01 is 891106-49-3.
What is the molecular formula of AB00678586-01?
The molecular formula of AB00678586-01 is C19H16N6OS.
What is the molecular weight of AB00678586-01?
The molecular weight of AB00678586-01 is 376.11 g/mol.
Where can I buy AB00678586-01?
You can request a quote for AB00678586-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678586-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678586-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.