(9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one
TL;DR: (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one (CAS 53537-71-6) is a chemical compound with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]-6-methoxy-1H-quinolin-2-one
Also Known As: 6'-Methoxycinchonan-2',9-diol, (9S)-6'-Methoxycinchonan-2',9-diol, (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one, Cinchonan-2'(1'H)-one, 9-hydroxy-6'-methoxy-, (9S)-, 4-[(S)-(5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl)-hydroxy-methyl]-6-methoxy-1H-quinolin-2-one
| Molecular Formula | C20H24N2O3 |
|---|---|
| Molecular Weight | 340.18 g/mol |
| LogP | 2.4665 |
| Topological Polar Surface Area | 65.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.17868 |
| Heavy Atoms | 25 |
| Complexity | 859.6304 |
Chemical Identifiers
| CAS Number | 53537-71-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=O)C=C2[C@@H](C3CC4CCN3CC4C=C)O |
Product Overview
(9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one (CAS 53537-71-6), with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol. IUPAC: 4-[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]-6-methoxy-1H-quinolin-2-one.
Chemical Property Profile of (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one
Property Insights of (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one
The XLogP value of 2.4665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one. The TPSA of 65.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one. Following Lipinski's Rule of Five, (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one has 2 hydrogen bond donor(s) and 4 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 (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one?
The CAS number of (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one is 53537-71-6.
What is the molecular formula of (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one?
The molecular formula of (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one is C20H24N2O3.
What is the molecular weight of (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one?
The molecular weight of (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one is 340.18 g/mol.
Where can I buy (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one?
You can request a quote for (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one?
Yes, KEHONG BIO provides custom synthesis services for (9S)-9-Hydroxy-6'-methoxycinchonan-2'(1'H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.