Abbott 40060
TL;DR: Abbott 40060 (CAS 27022-50-0) is a chemical compound with molecular formula C11H6F3N3 and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: Abbott 40060, 3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline, 3-(Trifluoromethyl)-1,2,4-triazolo(3,4-a)isoquinoline, 3- -s-triazolo[3,4-a]isoquinoline, s-Triazolo(3,4-a)isoquinoline, 3-(trifluoromethyl)-
| Molecular Formula | C11H6F3N3 |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.05138 |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 27022-50-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN3C2=NN=C3C(F)(F)F |
| InChIKey | VCCLTMGHQTUHGC-UHFFFAOYSA-N |
Product Overview
Abbott 40060 (CAS 27022-50-0), with molecular formula C11H6F3N3 and molecular weight 237.05 g/mol. IUPAC: 3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline.
Chemical Property Profile of Abbott 40060
Property Insights of Abbott 40060
The XLogP value of 3.3 indicates that Abbott 40060 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.2 Ų, Abbott 40060 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Abbott 40060 has 0 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 Abbott 40060?
The CAS number of Abbott 40060 is 27022-50-0.
What is the molecular formula of Abbott 40060?
The molecular formula of Abbott 40060 is C11H6F3N3.
What is the molecular weight of Abbott 40060?
The molecular weight of Abbott 40060 is 237.05 g/mol.
Where can I buy Abbott 40060?
You can request a quote for Abbott 40060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abbott 40060?
Yes, KEHONG BIO provides custom synthesis services for Abbott 40060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.