RefChem:330585
TL;DR: RefChem:330585 (CAS 114648-86-1) is a chemical compound with molecular formula C24H33NO8 and molecular weight 463.2206 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-O-(2-methylpropyl) 2-phenylbutanedioate;oxalic acid
Also Known As: 8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 3-carbisobutoxy 3-phenylpropionate, Butanedioic acid, 2-phenyl-, 4-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl) 1-(2-methylpropyl) ester, ethanedioate (1:1), 4-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-O-(2-methylpropyl) 2-phenylbutanedioate; oxalic acid, Oxalic acid--4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-methylpropyl) 2-phenylbutanedioate (1/1)
Technical Specifications
| Molecular Formula | C24H33NO8 |
| Molecular Weight | 463.2206 g/mol |
| XLogP | 2.6835 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 463.2206 Da |
| Heavy Atoms | 33 |
| Complexity | 572.0 |
| SMILES | CC(C)COC(=O)C(CC(=O)OC1CC2CCC(C1)N2C)C3=CC=CC=C3.C(=O)(C(=O)O)O |
| InChIKey | HYMSHUSUVPEZNT-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:330585
Property Insights of RefChem:330585
The XLogP value of 2.6835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:330585. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:330585. Following Lipinski's Rule of Five, RefChem:330585 has 2 hydrogen bond donor(s) and 9 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:330585?
The CAS number of RefChem:330585 is 114648-86-1.
What is the molecular formula of RefChem:330585?
The molecular formula of RefChem:330585 is C24H33NO8.
What is the molecular weight of RefChem:330585?
The molecular weight of RefChem:330585 is 463.2206 g/mol.
Where can I buy RefChem:330585?
You can request a quote for RefChem:330585 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:330585?
Yes, CoreyChem provides custom synthesis services for RefChem:330585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.