9R-0802
TL;DR: 9R-0802 (CAS 1005119-26-5) is a chemical compound with molecular formula C23H20ClFN4O2 and molecular weight 438.1259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-chloro-6-fluorophenyl)-3-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one
Also Known As: 9R-0802, 5-(2-chloro-6-fluorophenyl)-3-hydroxy-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one, 5-(2-chloro-6-fluorophenyl)-3-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one, 5-(2-chloro-6-fluorophenyl)-3-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1H-1,2,4-triazol-1-yl)cyclohex-2-en-1-one, 2-Cyclohexen-1-one, 5-(2-chloro-6-fluorophenyl)-3-hydroxy-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-
Technical Specifications
| Molecular Formula | C23H20ClFN4O2 |
| Molecular Weight | 438.1259 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.1259 Da |
| Heavy Atoms | 31 |
| Complexity | 722.0 |
| SMILES | C1CNC(C2=CC=CC=C21)C3=C(C(C(CC3=O)C4=C(C=CC=C4Cl)F)N5C=NC=N5)O |
| InChIKey | ADLQZXHMGGBTEF-UHFFFAOYSA-N |
Chemical Property Profile of 9R-0802
Property Insights of 9R-0802
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9R-0802. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9R-0802. Following Lipinski's Rule of Five, 9R-0802 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9R-0802?
The CAS number of 9R-0802 is 1005119-26-5.
What is the molecular formula of 9R-0802?
The molecular formula of 9R-0802 is C23H20ClFN4O2.
What is the molecular weight of 9R-0802?
The molecular weight of 9R-0802 is 438.1259 g/mol.
Where can I buy 9R-0802?
You can request a quote for 9R-0802 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9R-0802?
Yes, CoreyChem provides custom synthesis services for 9R-0802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.