AB00433569-04
TL;DR: AB00433569-04 (CAS 862980-38-9) is a chemical compound with molecular formula C16H13FN4O2S and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]pentane-2,4-dione
Also Known As: AB00433569-04, 3-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)pentane-2,4-dione, F0676-0355, 3-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]pentane-2,4-dione, 3-{[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}pentane-2,4-dione
| Molecular Formula | C16H13FN4O2S |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 2.5691 |
| Topological Polar Surface Area | 77.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.0743 |
| Heavy Atoms | 24 |
| Complexity | 909.47705 |
Chemical Identifiers
| CAS Number | 862980-38-9 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)SC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1 |
Product Overview
AB00433569-04 (CAS 862980-38-9), with molecular formula C16H13FN4O2S and molecular weight 344.07 g/mol. IUPAC: 3-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]pentane-2,4-dione.
Chemical Property Profile of AB00433569-04
Property Insights of AB00433569-04
The XLogP value of 2.5691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00433569-04. The TPSA of 77.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00433569-04. Following Lipinski's Rule of Five, AB00433569-04 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 AB00433569-04?
The CAS number of AB00433569-04 is 862980-38-9.
What is the molecular formula of AB00433569-04?
The molecular formula of AB00433569-04 is C16H13FN4O2S.
What is the molecular weight of AB00433569-04?
The molecular weight of AB00433569-04 is 344.07 g/mol.
Where can I buy AB00433569-04?
You can request a quote for AB00433569-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00433569-04?
Yes, KEHONG BIO provides custom synthesis services for AB00433569-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.