RefChem:339859
TL;DR: RefChem:339859 (CAS 153321-66-5) is a chemical compound with molecular formula C22H39NO8 and molecular weight 445.26758 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-2-[[(1R,3R,4S,6R)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]oxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1r-(1-alpha,3-beta,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--N,N-diethyl-2-{[(1R,3R,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-yl]oxy}ethan-1-amine (1/1), N,N-diethyl-2-[[(1R,3S,4R,6R)-3,7,7-trimethyl-4-bicyclo[4.1.0]heptanyl]oxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
Technical Specifications
| Molecular Formula | C22H39NO8 |
| Molecular Weight | 445.26758 g/mol |
| XLogP | 2.167 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 445.26758 Da |
| Heavy Atoms | 31 |
| Complexity | 500.0 |
| SMILES | CCN(CC)CCO[C@@H]1C[C@@H]2[C@H](C2(C)C)C[C@@H]1C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | YZOHSCDGIHXLAQ-BPNKVWISSA-N |
Chemical Property Profile of RefChem:339859
Property Insights of RefChem:339859
The XLogP value of 2.167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:339859. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:339859 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:339859 has 4 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:339859?
The CAS number of RefChem:339859 is 153321-66-5.
What is the molecular formula of RefChem:339859?
The molecular formula of RefChem:339859 is C22H39NO8.
What is the molecular weight of RefChem:339859?
The molecular weight of RefChem:339859 is 445.26758 g/mol.
Where can I buy RefChem:339859?
You can request a quote for RefChem:339859 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:339859?
Yes, CoreyChem provides custom synthesis services for RefChem:339859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.