Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)-
TL;DR: Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)- (CAS 83610-87-1) is a chemical compound with molecular formula C20H23ClN2O and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(S)-chloro-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline
Also Known As: Quinyl chloride, (9S)-9-Chloroquinine, 9-Chloro-6'-methoxycinchonan, Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)-, (8S,9S)-6 -Methoxy-9-chlorocinchonan
| Molecular Formula | C20H23ClN2O |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 25.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.1499 |
| Heavy Atoms | 24 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 83610-87-1 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)Cl |
| InChIKey | KQRKDUSVAAFOOA-FEBSWUBLSA-N |
Product Overview
Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)- (CAS 83610-87-1), with molecular formula C20H23ClN2O and molecular weight 342.15 g/mol. IUPAC: 4-[(S)-chloro-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline.
Chemical Property Profile of Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)-
Property Insights of Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)-
The XLogP value of 4.2 indicates that Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.4 Ų, Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)- has 0 hydrogen bond donor(s) and 3 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 Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)-?
The CAS number of Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)- is 83610-87-1.
What is the molecular formula of Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)-?
The molecular formula of Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)- is C20H23ClN2O.
What is the molecular weight of Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)-?
The molecular weight of Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)- is 342.15 g/mol.
Where can I buy Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)-?
You can request a quote for Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)-?
Yes, KEHONG BIO provides custom synthesis services for Cinchonan, 9-chloro-6'-methoxy-, (8alpha,9S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.