4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide
TL;DR: 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide (CAS 72469-17-1) is a chemical compound with molecular formula C17H23FN2O and molecular weight 290.17944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-fluorobenzamide
Also Known As: trans-4-Fluoro-N-(2-methyldecahydroisoquinol-5-yl)benzamide, 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide, BENZAMIDE, 4-FLUORO-N-(2-METHYLDECAHYDROISOQUINOL-5-YL)-, (E)-, 4-Fluoro-N-[(4aR,8aS)-2-methyldecahydroisoquinolin-5-yl]benzamide, N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-fluorobenzamide
Technical Specifications
| Molecular Formula | C17H23FN2O |
| Molecular Weight | 290.17944 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.17944 Da |
| Heavy Atoms | 21 |
| Complexity | 368.0 |
| SMILES | CN1CC[C@@H]2[C@@H](C1)CCCC2NC(=O)C3=CC=C(C=C3)F |
| InChIKey | ZXUXBBXHJDRZIY-CWSLVUQWSA-N |
Chemical Property Profile of 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide
Property Insights of 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide. With a topological polar surface area (TPSA) of 32.3 Ų, 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide?
The CAS number of 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide is 72469-17-1.
What is the molecular formula of 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide?
The molecular formula of 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide is C17H23FN2O.
What is the molecular weight of 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide?
The molecular weight of 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide is 290.17944 g/mol.
Where can I buy 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide?
You can request a quote for 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide?
Yes, CoreyChem provides custom synthesis services for 4-Fluoro-N-(2-methyldecahydroisoquinolin-5-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.