RefChem:330621
TL;DR: RefChem:330621 (CAS 114648-88-3) is a chemical compound with molecular formula C26H35NO8 and molecular weight 489.23627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-cyclohexyl 4-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylbutanedioate;oxalic acid
Also Known As: Butanedioic acid, phenyl-, 1-cyclohexyl 4-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl) ester, ethanedioate (1:1), Cyclohexyl (8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 2-phenylbutanedioate; Oxalic Acid, 1-O-cyclohexyl 4-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylbutanedioate; oxalic acid, Oxalic acid--1-cyclohexyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylbutanedioate (1/1)
Technical Specifications
| Molecular Formula | C26H35NO8 |
| Molecular Weight | 489.23627 g/mol |
| XLogP | 3.3602 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.23627 Da |
| Heavy Atoms | 35 |
| Complexity | 625.0 |
| SMILES | CN1C2CCC1CC(C2)OC(=O)CC(C3=CC=CC=C3)C(=O)OC4CCCCC4.C(=O)(C(=O)O)O |
| InChIKey | USMDTYNGRUSOQZ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:330621
Property Insights of RefChem:330621
The XLogP value of 3.3602 indicates that RefChem:330621 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:330621. Following Lipinski's Rule of Five, RefChem:330621 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:330621?
The CAS number of RefChem:330621 is 114648-88-3.
What is the molecular formula of RefChem:330621?
The molecular formula of RefChem:330621 is C26H35NO8.
What is the molecular weight of RefChem:330621?
The molecular weight of RefChem:330621 is 489.23627 g/mol.
Where can I buy RefChem:330621?
You can request a quote for RefChem:330621 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:330621?
Yes, CoreyChem provides custom synthesis services for RefChem:330621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.