RefChem:339851
TL;DR: RefChem:339851 (CAS 153175-79-2) is a chemical compound with molecular formula C22H37NO8 and molecular weight 443.25192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-2-[[(1S,2R,5R)-1-methyl-4-propan-2-ylidene-2-bicyclo[3.1.0]hexanyl]oxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Ethanamine, N,N-diethyl-2-((1-methyl-4-(1-methylethylidene)bicyclo(3.1.0)hex-2-yl)oxy)-(1-alpha,2-alpha,5-alpha)-(+)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--N,N-diethyl-2-{[(1S,2R,5R)-1-methyl-4-(propan-2-ylidene)bicyclo[3.1.0]hexan-2-yl]oxy}ethan-1-amine (1/1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--N,N-diethyl-2-{[1-methyl-4-(propan-2-ylidene)bicyclo[3.1.0]hexan-2-yl]oxy}ethan-1-amine (1/1), N,N-diethyl-2-[[(1R,4R,5S)-5-methyl-2-propan-2-ylidene-4-bicyclo[3.1.0]hexanyl]oxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
Technical Specifications
| Molecular Formula | C22H37NO8 |
| Molecular Weight | 443.25192 g/mol |
| XLogP | 2.2312 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 443.25192 Da |
| Heavy Atoms | 31 |
| Complexity | 555.0 |
| SMILES | CCN(CC)CCO[C@@H]1CC(=C(C)C)[C@@H]2[C@@]1(C2)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | LNAOATNRZZACPC-IFKKJYDISA-N |
Chemical Property Profile of RefChem:339851
Property Insights of RefChem:339851
The XLogP value of 2.2312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:339851. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:339851 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:339851 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:339851?
The CAS number of RefChem:339851 is 153175-79-2.
What is the molecular formula of RefChem:339851?
The molecular formula of RefChem:339851 is C22H37NO8.
What is the molecular weight of RefChem:339851?
The molecular weight of RefChem:339851 is 443.25192 g/mol.
Where can I buy RefChem:339851?
You can request a quote for RefChem:339851 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:339851?
Yes, CoreyChem provides custom synthesis services for RefChem:339851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.