AB00678653-01
TL;DR: AB00678653-01 (CAS 891114-33-3) is a chemical compound with molecular formula C23H15FN6O and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
Also Known As: AB00678653-01, F2508-1108, 3-fluoro-N-{3-[3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl}benzamide, 3-fluoro-N-(3-(3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)benzamide, 3-fluoro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
| Molecular Formula | C23H15FN6O |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 4.2447 |
| Topological Polar Surface Area | 85.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.12915 |
| Heavy Atoms | 31 |
| Complexity | 1399.9052 |
Chemical Identifiers
| CAS Number | 891114-33-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)F)C3=NN4C(=NN=C4C5=CC=NC=C5)C=C3 |
Product Overview
AB00678653-01 (CAS 891114-33-3), with molecular formula C23H15FN6O and molecular weight 410.13 g/mol. IUPAC: 3-fluoro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.
Chemical Property Profile of AB00678653-01
Property Insights of AB00678653-01
The XLogP value of 4.2447 indicates that AB00678653-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678653-01. Following Lipinski's Rule of Five, AB00678653-01 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 AB00678653-01?
The CAS number of AB00678653-01 is 891114-33-3.
What is the molecular formula of AB00678653-01?
The molecular formula of AB00678653-01 is C23H15FN6O.
What is the molecular weight of AB00678653-01?
The molecular weight of AB00678653-01 is 410.13 g/mol.
Where can I buy AB00678653-01?
You can request a quote for AB00678653-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678653-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678653-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.