AB00684953-01
TL;DR: AB00684953-01 (CAS 852375-14-5) is a chemical compound with molecular formula C17H12FN5S and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluorophenyl)-6-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: AB00684953-01, F0676-0458, 3-(3-fluorophenyl)-6-((pyridin-2-ylmethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazine, 3-(3-fluorophenyl)-6-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C17H12FN5S |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 3.6177 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.07974 |
| Heavy Atoms | 24 |
| Complexity | 986.62665 |
Chemical Identifiers
| CAS Number | 852375-14-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)CSC2=NN3C(=NN=C3C4=CC(=CC=C4)F)C=C2 |
Product Overview
AB00684953-01 (CAS 852375-14-5), with molecular formula C17H12FN5S and molecular weight 337.08 g/mol. IUPAC: 3-(3-fluorophenyl)-6-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of AB00684953-01
Property Insights of AB00684953-01
The XLogP value of 3.6177 indicates that AB00684953-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, AB00684953-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00684953-01 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 AB00684953-01?
The CAS number of AB00684953-01 is 852375-14-5.
What is the molecular formula of AB00684953-01?
The molecular formula of AB00684953-01 is C17H12FN5S.
What is the molecular weight of AB00684953-01?
The molecular weight of AB00684953-01 is 337.08 g/mol.
Where can I buy AB00684953-01?
You can request a quote for AB00684953-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684953-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684953-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.