Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
TL;DR: Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS 153222-88-9) is a chemical compound with molecular formula C22H39NO8 and molecular weight 445.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[[(1R,3S,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-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--N,N-diethyl-2-{[(1R,3S,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-yl]oxy}ethan-1-amine (1/1), N,N-diethyl-2-[[(1R,3S,4S,6R)-3,7,7-trimethyl-4-bicyclo[4.1.0]heptanyl]oxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid, RefChem:339858
| Molecular Formula | C22H39NO8 |
|---|---|
| Molecular Weight | 445.27 g/mol |
| LogP | 2.167 |
| Topological Polar Surface Area | 144.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 445.26758 |
| Heavy Atoms | 31 |
| Complexity | 615.0004 |
Chemical Identifiers
| CAS Number | 153222-88-9 |
|---|---|
| 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 |
Product Overview
Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS 153222-88-9), with molecular formula C22H39NO8 and molecular weight 445.27 g/mol. IUPAC: N,N-diethyl-2-[[(1R,3S,4S,6R)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]oxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
Property Insights of Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
The XLogP value of 2.167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1). The TPSA of 144.6 Ų indicates high polarity, suggesting Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
The CAS number of Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) is 153222-88-9.
What is the molecular formula of Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
The molecular formula of Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) is C22H39NO8.
What is the molecular weight of Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
The molecular weight of Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) is 445.27 g/mol.
Where can I buy Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
You can request a quote for Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1R-(1-alpha,3-alpha,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.