F2007-0097
TL;DR: F2007-0097 (CAS 872994-41-7) is a chemical compound with molecular formula C20H18N6OS and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[6-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
Also Known As: F2007-0097, N-(2-(6-((pyridin-3-ylmethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide, N-[2-[6-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide, N-[2-(6-{[(pyridin-3-yl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide
| Molecular Formula | C20H18N6OS |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 2.7841 |
| Topological Polar Surface Area | 85.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.12628 |
| Heavy Atoms | 28 |
| Complexity | 1067.9658 |
Chemical Identifiers
| CAS Number | 872994-41-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCCC2=NN=C3N2N=C(C=C3)SCC4=CN=CC=C4 |
Product Overview
F2007-0097 (CAS 872994-41-7), with molecular formula C20H18N6OS and molecular weight 390.13 g/mol. IUPAC: N-[2-[6-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide.
Chemical Property Profile of F2007-0097
Property Insights of F2007-0097
The XLogP value of 2.7841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2007-0097. The TPSA of 85.07 Ų falls within the moderate polarity range, balancing permeability and solubility for F2007-0097. Following Lipinski's Rule of Five, F2007-0097 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 F2007-0097?
The CAS number of F2007-0097 is 872994-41-7.
What is the molecular formula of F2007-0097?
The molecular formula of F2007-0097 is C20H18N6OS.
What is the molecular weight of F2007-0097?
The molecular weight of F2007-0097 is 390.13 g/mol.
Where can I buy F2007-0097?
You can request a quote for F2007-0097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2007-0097?
Yes, KEHONG BIO provides custom synthesis services for F2007-0097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.