1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline
TL;DR: 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline (CAS 112037-78-2) is a chemical compound with molecular formula C12H11F3N2 and molecular weight 240.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: Maybridge4_003934, 1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline, IDI1_032756, 1-Trifluoromethyl-2,3,4,9-tetrahydro-1H-b-carboline
Technical Specifications
| Molecular Formula | C12H11F3N2 |
| Molecular Weight | 240.08743 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.08743 Da |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
| SMILES | C1CNC(C2=C1C3=CC=CC=C3N2)C(F)(F)F |
| InChIKey | MTJHHRXTCMKWEC-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Property Insights of 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline. With a topological polar surface area (TPSA) of 27.8 Ų, 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The CAS number of 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline is 112037-78-2.
What is the molecular formula of 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The molecular formula of 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline is C12H11F3N2.
What is the molecular weight of 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The molecular weight of 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline is 240.08743 g/mol.
Where can I buy 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
You can request a quote for 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
Yes, CoreyChem provides custom synthesis services for 1-(Trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.