AB00678549-01
TL;DR: AB00678549-01 (CAS 891099-59-5) is a chemical compound with molecular formula C17H11FN4O2S and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]ethanone
Also Known As: AB00678549-01, F2507-0085, 1-(4-fluorophenyl)-2-{[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one, 1-(4-fluorophenyl)-2-((6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)ethanone, 1-(4-fluorophenyl)-2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]ethanone
| Molecular Formula | C17H11FN4O2S |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 3.4984 |
| Topological Polar Surface Area | 73.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.0587 |
| Heavy Atoms | 25 |
| Complexity | 1028.6863 |
Chemical Identifiers
| CAS Number | 891099-59-5 |
|---|---|
| SMILES | C1=COC(=C1)C2=NN3C(=NN=C3SCC(=O)C4=CC=C(C=C4)F)C=C2 |
Product Overview
AB00678549-01 (CAS 891099-59-5), with molecular formula C17H11FN4O2S and molecular weight 354.06 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]ethanone.
Chemical Property Profile of AB00678549-01
Property Insights of AB00678549-01
The XLogP value of 3.4984 indicates that AB00678549-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678549-01. Following Lipinski's Rule of Five, AB00678549-01 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 AB00678549-01?
The CAS number of AB00678549-01 is 891099-59-5.
What is the molecular formula of AB00678549-01?
The molecular formula of AB00678549-01 is C17H11FN4O2S.
What is the molecular weight of AB00678549-01?
The molecular weight of AB00678549-01 is 354.06 g/mol.
Where can I buy AB00678549-01?
You can request a quote for AB00678549-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678549-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678549-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.