AB00678582-01
TL;DR: AB00678582-01 (CAS 891105-77-4) is a chemical compound with molecular formula C20H18N6OS and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methyl]-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
Also Known As: AB00678582-01, F2507-0308, N-[(4-methylphenyl)methyl]-2-{[6-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide, N-(4-methylbenzyl)-2-((6-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide, N-[(4-methylphenyl)methyl]-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
| Molecular Formula | C20H18N6OS |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 2.90322 |
| Topological Polar Surface Area | 85.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.12628 |
| Heavy Atoms | 28 |
| Complexity | 1094.8519 |
Chemical Identifiers
| CAS Number | 891105-77-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4 |
Product Overview
AB00678582-01 (CAS 891105-77-4), with molecular formula C20H18N6OS and molecular weight 390.13 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00678582-01
Property Insights of AB00678582-01
The XLogP value of 2.90322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00678582-01. The TPSA of 85.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678582-01. Following Lipinski's Rule of Five, AB00678582-01 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 AB00678582-01?
The CAS number of AB00678582-01 is 891105-77-4.
What is the molecular formula of AB00678582-01?
The molecular formula of AB00678582-01 is C20H18N6OS.
What is the molecular weight of AB00678582-01?
The molecular weight of AB00678582-01 is 390.13 g/mol.
Where can I buy AB00678582-01?
You can request a quote for AB00678582-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678582-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678582-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.