9R-0803
TL;DR: 9R-0803 (CAS 1005123-60-3) is a chemical compound with molecular formula C28H24ClF3N2O3 and molecular weight 528.14276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexane-1,3-dione
Also Known As: 9R-0803, 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexane-1,3-dione, 1,3-Cyclohexanedione, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-1,3-cyclohexanedione, CID 5163964
Technical Specifications
| Molecular Formula | C28H24ClF3N2O3 |
| Molecular Weight | 528.14276 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 528.14276 Da |
| Heavy Atoms | 37 |
| Complexity | 834.0 |
| SMILES | COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2C3=C(C=C(C=N3)C(F)(F)F)Cl)C4C5=CC=CC=C5CCN4 |
| InChIKey | ZQUBRKJSKNTGGQ-UHFFFAOYSA-N |
Chemical Property Profile of 9R-0803
Property Insights of 9R-0803
The XLogP value of 4.7 indicates that 9R-0803 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 9R-0803. Following Lipinski's Rule of Five, 9R-0803 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 9R-0803?
The CAS number of 9R-0803 is 1005123-60-3.
What is the molecular formula of 9R-0803?
The molecular formula of 9R-0803 is C28H24ClF3N2O3.
What is the molecular weight of 9R-0803?
The molecular weight of 9R-0803 is 528.14276 g/mol.
Where can I buy 9R-0803?
You can request a quote for 9R-0803 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9R-0803?
Yes, CoreyChem provides custom synthesis services for 9R-0803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.