9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine
TL;DR: 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine (CAS 129297-21-8) is a chemical compound with molecular formula C54H55F3N6O14 and molecular weight 1068.3728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tris(8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine);bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
Also Known As: SM 10888, 5,6-difluoro-1H-indazole-3-carboxylic Acid, 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine, 2,4-Methanoacridin-9-amine, 8-fluoro-1,2,3,4-tetrahydro-, 2-hydroxy-1,2,3-propanetricarboxylate (3:2), 8-Fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
Technical Specifications
| Molecular Formula | C54H55F3N6O14 |
| Molecular Weight | 1068.3728 g/mol |
| XLogP | 6.5204 |
| Topological Polar Surface Area (TPSA) | 381.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 10 |
| Exact Mass | 1068.3728 Da |
| Heavy Atoms | 77 |
| Complexity | 543.0 |
| SMILES | C1C2CC1C3=NC4=C(C(=CC=C4)F)C(=C3C2)N.C1C2CC1C3=NC4=C(C(=CC=C4)F)C(=C3C2)N.C1C2CC1C3=NC4=C(C(=CC=C4)F)C(=C3C2)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | VHIZLRDZOSUTLU-UHFFFAOYSA-N |
Chemical Property Profile of 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine
Property Insights of 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine
The XLogP value of 6.5204 indicates that 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 381.0 Ų indicates high polarity, suggesting 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine has 11 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine?
The CAS number of 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine is 129297-21-8.
What is the molecular formula of 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine?
The molecular formula of 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine is C54H55F3N6O14.
What is the molecular weight of 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine?
The molecular weight of 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine is 1068.3728 g/mol.
Where can I buy 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine?
You can request a quote for 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine?
Yes, CoreyChem provides custom synthesis services for 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.