6'-Methoxycinchonan-9-ol--water (1/2)
TL;DR: 6'-Methoxycinchonan-9-ol--water (1/2) (CAS 63717-04-4) is a chemical compound with molecular formula C20H28N2O4 and molecular weight 360.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate
Also Known As: Quinidine dihydrate, Quinidine, dihydrate, 6'-Methoxycinchonan-9-ol--water (1/2), Cinchonan-9-ol, 6'-methoxy-, dihydrate (9S)-, (1xi,9S)-6'-Methoxycinchonan-9-ol--water (1/2)
| Molecular Formula | C20H28N2O4 |
|---|---|
| Molecular Weight | 360.20 g/mol |
| LogP | 1.52 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.2049 |
| Heavy Atoms | 26 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 63717-04-4 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O.O.O |
| InChIKey | SFWZXFCJOWQJFZ-HFUYCMBESA-N |
Product Overview
6'-Methoxycinchonan-9-ol--water (1/2) (CAS 63717-04-4), with molecular formula C20H28N2O4 and molecular weight 360.20 g/mol. IUPAC: (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate.
Chemical Property Profile of 6'-Methoxycinchonan-9-ol--water (1/2)
Property Insights of 6'-Methoxycinchonan-9-ol--water (1/2)
The XLogP value of 1.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6'-Methoxycinchonan-9-ol--water (1/2). With a topological polar surface area (TPSA) of 47.6 Ų, 6'-Methoxycinchonan-9-ol--water (1/2) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6'-Methoxycinchonan-9-ol--water (1/2) has 3 hydrogen bond donor(s) and 6 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 6'-Methoxycinchonan-9-ol--water (1/2)?
The CAS number of 6'-Methoxycinchonan-9-ol--water (1/2) is 63717-04-4.
What is the molecular formula of 6'-Methoxycinchonan-9-ol--water (1/2)?
The molecular formula of 6'-Methoxycinchonan-9-ol--water (1/2) is C20H28N2O4.
What is the molecular weight of 6'-Methoxycinchonan-9-ol--water (1/2)?
The molecular weight of 6'-Methoxycinchonan-9-ol--water (1/2) is 360.20 g/mol.
Where can I buy 6'-Methoxycinchonan-9-ol--water (1/2)?
You can request a quote for 6'-Methoxycinchonan-9-ol--water (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-Methoxycinchonan-9-ol--water (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 6'-Methoxycinchonan-9-ol--water (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.