F2007-0079
TL;DR: F2007-0079 (CAS 872994-27-9) is a chemical compound with molecular formula C21H18FN5OS and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[6-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
Also Known As: F2007-0079, N-(2-(6-((3-fluorobenzyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide, N-[2-(6-{[(3-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide, N-[2-[6-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
| Molecular Formula | C21H18FN5OS |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 3.5282 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.1216 |
| Heavy Atoms | 29 |
| Complexity | 1132.3466 |
Chemical Identifiers
| CAS Number | 872994-27-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCCC2=NN=C3N2N=C(C=C3)SCC4=CC(=CC=C4)F |
Product Overview
F2007-0079 (CAS 872994-27-9), with molecular formula C21H18FN5OS and molecular weight 407.12 g/mol. IUPAC: N-[2-[6-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide.
Chemical Property Profile of F2007-0079
Property Insights of F2007-0079
The XLogP value of 3.5282 indicates that F2007-0079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for F2007-0079. Following Lipinski's Rule of Five, F2007-0079 has 1 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 F2007-0079?
The CAS number of F2007-0079 is 872994-27-9.
What is the molecular formula of F2007-0079?
The molecular formula of F2007-0079 is C21H18FN5OS.
What is the molecular weight of F2007-0079?
The molecular weight of F2007-0079 is 407.12 g/mol.
Where can I buy F2007-0079?
You can request a quote for F2007-0079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2007-0079?
Yes, KEHONG BIO provides custom synthesis services for F2007-0079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.