RefChem:331405
TL;DR: RefChem:331405 (CAS 73962-22-8) is a chemical compound with molecular formula C25H28FNO7 and molecular weight 473.18497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-4-(2-methoxyspiro[2H-1-benzofuran-3,4'-piperidin-1-ium]-1'-yl)butan-1-one;2-hydroxy-2-oxoacetate
Also Known As: C23H26FNO3.C2H2O4.1/2H2O, C23-H26-F-N-O3.C2-H2-O4.1/2H2-O, Butyrophenone, 4'-fluoro-4-(2-methoxyspiro(benzofuran-3(2H),4'-piperidin)-1'-yl)-, oxalate, hemihydrate, 1-(4-fluorophenyl)-4-(2-methoxyspiro[2H-1-benzofuran-3,4'-piperidin-1-ium]-1'-yl)butan-1-one; 2-hydroxy-2-oxoacetate, BUTYROPHENONE, 4'-FLUORO-4-(2-METHOXYSPIRO(BENZOFURAN-3(2H),4'-PIPERIDIN)-1'-YL)
Technical Specifications
| Molecular Formula | C25H28FNO7 |
| Molecular Weight | 473.18497 g/mol |
| XLogP | 0.59 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.18497 Da |
| Heavy Atoms | 34 |
| Complexity | 604.0 |
| SMILES | COC1C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4O1.C(=O)(C(=O)[O-])O |
| InChIKey | GZXSYCUXHPCIDB-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331405
Property Insights of RefChem:331405
The XLogP value of 0.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331405. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331405. Following Lipinski's Rule of Five, RefChem:331405 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:331405?
The CAS number of RefChem:331405 is 73962-22-8.
What is the molecular formula of RefChem:331405?
The molecular formula of RefChem:331405 is C25H28FNO7.
What is the molecular weight of RefChem:331405?
The molecular weight of RefChem:331405 is 473.18497 g/mol.
Where can I buy RefChem:331405?
You can request a quote for RefChem:331405 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331405?
Yes, CoreyChem provides custom synthesis services for RefChem:331405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.