Aspartic acid--6'-methoxycinchonan-9-ol (2/1)
TL;DR: Aspartic acid--6'-methoxycinchonan-9-ol (2/1) (CAS 196225-33-9) is a chemical compound with molecular formula C28H38N4O10 and molecular weight 590.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((2S)-2-aminobutanedioic acid);(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol
Also Known As: Diaspartate de quinine, Diaspartate de quinine [French], Quinine L-aspartate (1:2) (salt), Aspartic acid--6'-methoxycinchonan-9-ol (2/1), L-Aspartic acid--6'-methoxycinchonan-9-ol (2/1)
| Molecular Formula | C28H38N4O10 |
|---|---|
| Molecular Weight | 590.26 g/mol |
| LogP | 0.9192 |
| Topological Polar Surface Area | 246.83 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 590.2588 |
| Heavy Atoms | 42 |
| Complexity | 1240.48 |
Chemical Identifiers
| CAS Number | 196225-33-9 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C([C@@H](C(=O)O)N)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O |
Product Overview
Aspartic acid--6'-methoxycinchonan-9-ol (2/1) (CAS 196225-33-9), with molecular formula C28H38N4O10 and molecular weight 590.26 g/mol. IUPAC: bis((2S)-2-aminobutanedioic acid);(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol.
Chemical Property Profile of Aspartic acid--6'-methoxycinchonan-9-ol (2/1)
Property Insights of Aspartic acid--6'-methoxycinchonan-9-ol (2/1)
The XLogP value of 0.9192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspartic acid--6'-methoxycinchonan-9-ol (2/1). The TPSA of 246.83 Ų indicates high polarity, suggesting Aspartic acid--6'-methoxycinchonan-9-ol (2/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aspartic acid--6'-methoxycinchonan-9-ol (2/1) has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aspartic acid--6'-methoxycinchonan-9-ol (2/1)?
The CAS number of Aspartic acid--6'-methoxycinchonan-9-ol (2/1) is 196225-33-9.
What is the molecular formula of Aspartic acid--6'-methoxycinchonan-9-ol (2/1)?
The molecular formula of Aspartic acid--6'-methoxycinchonan-9-ol (2/1) is C28H38N4O10.
What is the molecular weight of Aspartic acid--6'-methoxycinchonan-9-ol (2/1)?
The molecular weight of Aspartic acid--6'-methoxycinchonan-9-ol (2/1) is 590.26 g/mol.
Where can I buy Aspartic acid--6'-methoxycinchonan-9-ol (2/1)?
You can request a quote for Aspartic acid--6'-methoxycinchonan-9-ol (2/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspartic acid--6'-methoxycinchonan-9-ol (2/1)?
Yes, KEHONG BIO provides custom synthesis services for Aspartic acid--6'-methoxycinchonan-9-ol (2/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.