RefChem:339857
TL;DR: RefChem:339857 (CAS 153222-87-8) is a chemical compound with molecular formula C22H39NO9 and molecular weight 461.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[[(1S,3R,4S,5S)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-yl]oxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Ethanamine, N,N-diethyl-2-((4,7,7-trimethyl-6-oxabicyclo(3.2.1)oct-3-yl)oxy)-, (1r-(3-exo,4-endo))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--N,N-diethyl-2-[(4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-yl)oxy]ethan-1-amine (1/1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--N,N-diethyl-2-{[(1S,3R,4S,5S)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-yl]oxy}ethan-1-amine (1/1), RefChem:339857
| Molecular Formula | C22H39NO9 |
|---|---|
| Molecular Weight | 461.26 g/mol |
| LogP | 1.6884 |
| Topological Polar Surface Area | 153.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 461.26248 |
| Heavy Atoms | 32 |
| Complexity | 631.31274 |
Chemical Identifiers
| CAS Number | 153222-87-8 |
|---|---|
| SMILES | CCN(CC)CCO[C@@H]1C[C@H]2C[C@@H]([C@H]1C)OC2(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
RefChem:339857 (CAS 153222-87-8), with molecular formula C22H39NO9 and molecular weight 461.26 g/mol. IUPAC: N,N-diethyl-2-[[(1S,3R,4S,5S)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-yl]oxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of RefChem:339857
Property Insights of RefChem:339857
The XLogP value of 1.6884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:339857. The TPSA of 153.83 Ų indicates high polarity, suggesting RefChem:339857 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:339857 has 4 hydrogen bond donor(s) and 7 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 RefChem:339857?
The CAS number of RefChem:339857 is 153222-87-8.
What is the molecular formula of RefChem:339857?
The molecular formula of RefChem:339857 is C22H39NO9.
What is the molecular weight of RefChem:339857?
The molecular weight of RefChem:339857 is 461.26 g/mol.
Where can I buy RefChem:339857?
You can request a quote for RefChem:339857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339857?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.