AB00676362-01
TL;DR: AB00676362-01 (CAS 868970-26-7) is a chemical compound with molecular formula C18H12F3N5S and molecular weight 387.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-4-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: AB00676362-01, F1835-0448, 4-[6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]pyridine, 3-(pyridin-4-yl)-6-((3-(trifluoromethyl)benzyl)thio)-[1,2,4]triazolo[4,3-b]pyridazine, 3-pyridin-4-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C18H12F3N5S |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 4.4974 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.07654 |
| Heavy Atoms | 27 |
| Complexity | 1079.2523 |
Chemical Identifiers
| CAS Number | 868970-26-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CSC2=NN3C(=NN=C3C4=CC=NC=C4)C=C2 |
Product Overview
AB00676362-01 (CAS 868970-26-7), with molecular formula C18H12F3N5S and molecular weight 387.08 g/mol. IUPAC: 3-pyridin-4-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of AB00676362-01
Property Insights of AB00676362-01
The XLogP value of 4.4974 indicates that AB00676362-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, AB00676362-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00676362-01 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 AB00676362-01?
The CAS number of AB00676362-01 is 868970-26-7.
What is the molecular formula of AB00676362-01?
The molecular formula of AB00676362-01 is C18H12F3N5S.
What is the molecular weight of AB00676362-01?
The molecular weight of AB00676362-01 is 387.08 g/mol.
Where can I buy AB00676362-01?
You can request a quote for AB00676362-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676362-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676362-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.