AB00678580-01
TL;DR: AB00678580-01 (CAS 891105-63-8) is a chemical compound with molecular formula C17H11ClFN5S and molecular weight 371.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: AB00678580-01, F2507-0301, 2-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyridine, 3-((2-chloro-6-fluorobenzyl)thio)-6-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine, 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C17H11ClFN5S |
|---|---|
| Molecular Weight | 371.04 g/mol |
| LogP | 4.2711 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.04077 |
| Heavy Atoms | 25 |
| Complexity | 1017.58496 |
Chemical Identifiers
| CAS Number | 891105-63-8 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NN3C(=NN=C3SCC4=C(C=CC=C4Cl)F)C=C2 |
Product Overview
AB00678580-01 (CAS 891105-63-8), with molecular formula C17H11ClFN5S and molecular weight 371.04 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of AB00678580-01
Property Insights of AB00678580-01
The XLogP value of 4.2711 indicates that AB00678580-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, AB00678580-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00678580-01 has 0 hydrogen bond donor(s) and 5 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 AB00678580-01?
The CAS number of AB00678580-01 is 891105-63-8.
What is the molecular formula of AB00678580-01?
The molecular formula of AB00678580-01 is C17H11ClFN5S.
What is the molecular weight of AB00678580-01?
The molecular weight of AB00678580-01 is 371.04 g/mol.
Where can I buy AB00678580-01?
You can request a quote for AB00678580-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678580-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678580-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.