AB00678645-01
TL;DR: AB00678645-01 (CAS 891119-22-5) is a chemical compound with molecular formula C20H14F3N5O and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
Also Known As: AB00678645-01, F2508-0381, N-(3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-3-(trifluoromethyl)benzamide, N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide, N-[m-(3-methyl-1,2,3a,4-tetraaza-5-indenyl)phenyl]m-(trifluoromethyl)benzamide
| Molecular Formula | C20H14F3N5O |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 4.37082 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.11505 |
| Heavy Atoms | 29 |
| Complexity | 1216.194 |
Chemical Identifiers
| CAS Number | 891119-22-5 |
|---|---|
| SMILES | CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F |
Product Overview
AB00678645-01 (CAS 891119-22-5), with molecular formula C20H14F3N5O and molecular weight 397.12 g/mol. IUPAC: N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of AB00678645-01
Property Insights of AB00678645-01
The XLogP value of 4.37082 indicates that AB00678645-01 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 AB00678645-01. Following Lipinski's Rule of Five, AB00678645-01 has 1 hydrogen bond donor(s) and 4 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 AB00678645-01?
The CAS number of AB00678645-01 is 891119-22-5.
What is the molecular formula of AB00678645-01?
The molecular formula of AB00678645-01 is C20H14F3N5O.
What is the molecular weight of AB00678645-01?
The molecular weight of AB00678645-01 is 397.12 g/mol.
Where can I buy AB00678645-01?
You can request a quote for AB00678645-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678645-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678645-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.