辛可宁
TL;DR: 辛可宁 (CAS 118-10-5) is a chemical compound with molecular formula C19H22N2O and molecular weight 294.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛可宁
(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
Also Known As: cinchonine, D-Cinchonine, (9S)-Cinchonan-9-ol, (+)-Cinconine, (+)-Cinchonine
| Molecular Formula | C19H22N2O |
|---|---|
| Molecular Weight | 294.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.17322 |
| Heavy Atoms | 22 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 118-10-5 |
|---|---|
| SMILES | C=CC1CN2CCC1CC2[C@H](C3=CC=NC4=CC=CC=C34)O |
| InChIKey | KMPWYEUPVWOPIM-QHQSXHFQSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
辛可宁 (CAS 118-10-5), with molecular formula C19H22N2O and molecular weight 294.17 g/mol. IUPAC: (S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol.
Chemical Property Profile of 辛可宁
Property Insights of 辛可宁
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 辛可宁. With a topological polar surface area (TPSA) of 36.4 Ų, 辛可宁 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 辛可宁 has 1 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 辛可宁?
The CAS number of 辛可宁 is 118-10-5.
What is the molecular formula of 辛可宁?
The molecular formula of 辛可宁 is C19H22N2O.
What is the molecular weight of 辛可宁?
The molecular weight of 辛可宁 is 294.17 g/mol.
Where can I buy 辛可宁?
You can request a quote for 辛可宁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛可宁?
Yes, KEHONG BIO provides custom synthesis services for 辛可宁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.