(8alpha,9R)-9-Chloro-6'-methoxycinchonan
TL;DR: (8alpha,9R)-9-Chloro-6'-methoxycinchonan (CAS 14528-48-4) 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-[(R)-chloro-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline
Also Known As: Quinyl chloride, 9-Deoxy-9-chloroquinine, 9-Chloro-6'-methoxycinchonan, (8alpha,9R)-9-Chloro-6'-methoxycinchonan, (8alpha,9R)-9-chloro-6/'-methoxycinchonan
| 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 | 14528-48-4 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)Cl |
| InChIKey | KQRKDUSVAAFOOA-WZBLMQSHSA-N |
Product Overview
(8alpha,9R)-9-Chloro-6'-methoxycinchonan (CAS 14528-48-4), with molecular formula C20H23ClN2O and molecular weight 342.15 g/mol. IUPAC: 4-[(R)-chloro-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline.
Chemical Property Profile of (8alpha,9R)-9-Chloro-6'-methoxycinchonan
Property Insights of (8alpha,9R)-9-Chloro-6'-methoxycinchonan
The XLogP value of 4.2 indicates that (8alpha,9R)-9-Chloro-6'-methoxycinchonan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.4 Ų, (8alpha,9R)-9-Chloro-6'-methoxycinchonan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (8alpha,9R)-9-Chloro-6'-methoxycinchonan 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 (8alpha,9R)-9-Chloro-6'-methoxycinchonan?
The CAS number of (8alpha,9R)-9-Chloro-6'-methoxycinchonan is 14528-48-4.
What is the molecular formula of (8alpha,9R)-9-Chloro-6'-methoxycinchonan?
The molecular formula of (8alpha,9R)-9-Chloro-6'-methoxycinchonan is C20H23ClN2O.
What is the molecular weight of (8alpha,9R)-9-Chloro-6'-methoxycinchonan?
The molecular weight of (8alpha,9R)-9-Chloro-6'-methoxycinchonan is 342.15 g/mol.
Where can I buy (8alpha,9R)-9-Chloro-6'-methoxycinchonan?
You can request a quote for (8alpha,9R)-9-Chloro-6'-methoxycinchonan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8alpha,9R)-9-Chloro-6'-methoxycinchonan?
Yes, KEHONG BIO provides custom synthesis services for (8alpha,9R)-9-Chloro-6'-methoxycinchonan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.