AB00678574-01
TL;DR: AB00678574-01 (CAS 891104-84-0) is a chemical compound with molecular formula C18H13N5OS and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone
Also Known As: AB00678574-01, F2507-0283, 1-phenyl-2-{[6-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one, 1-phenyl-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone, 1-phenyl-2-[5-(2-pyridyl)-1,2,3a,4-tetraaza-3-indenylthio]-1-ethanone
| Molecular Formula | C18H13N5OS |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 3.1613 |
| Topological Polar Surface Area | 73.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.08408 |
| Heavy Atoms | 25 |
| Complexity | 1017.52295 |
Chemical Identifiers
| CAS Number | 891104-84-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4 |
Product Overview
AB00678574-01 (CAS 891104-84-0), with molecular formula C18H13N5OS and molecular weight 347.08 g/mol. IUPAC: 1-phenyl-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone.
Chemical Property Profile of AB00678574-01
Property Insights of AB00678574-01
The XLogP value of 3.1613 indicates that AB00678574-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678574-01. Following Lipinski's Rule of Five, AB00678574-01 has 0 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 AB00678574-01?
The CAS number of AB00678574-01 is 891104-84-0.
What is the molecular formula of AB00678574-01?
The molecular formula of AB00678574-01 is C18H13N5OS.
What is the molecular weight of AB00678574-01?
The molecular weight of AB00678574-01 is 347.08 g/mol.
Where can I buy AB00678574-01?
You can request a quote for AB00678574-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678574-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678574-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.