AB00412133-05
TL;DR: AB00412133-05 (CAS 852374-98-2) is a chemical compound with molecular formula C18H18FN5O2S and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: AB00412133-05, F0676-0424, 2-{[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide, 2-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
| Molecular Formula | C18H18FN5O2S |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 2.3177 |
| Topological Polar Surface Area | 81.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.11652 |
| Heavy Atoms | 27 |
| Complexity | 957.8299 |
Chemical Identifiers
| CAS Number | 852374-98-2 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CSC2=NN3C(=NN=C3C4=CC(=CC=C4)F)C=C2 |
Product Overview
AB00412133-05 (CAS 852374-98-2), with molecular formula C18H18FN5O2S and molecular weight 387.12 g/mol. IUPAC: 2-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of AB00412133-05
Property Insights of AB00412133-05
The XLogP value of 2.3177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00412133-05. The TPSA of 81.41 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00412133-05. Following Lipinski's Rule of Five, AB00412133-05 has 1 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 AB00412133-05?
The CAS number of AB00412133-05 is 852374-98-2.
What is the molecular formula of AB00412133-05?
The molecular formula of AB00412133-05 is C18H18FN5O2S.
What is the molecular weight of AB00412133-05?
The molecular weight of AB00412133-05 is 387.12 g/mol.
Where can I buy AB00412133-05?
You can request a quote for AB00412133-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00412133-05?
Yes, KEHONG BIO provides custom synthesis services for AB00412133-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.