奎宁乙基氯化物
TL;DR: 奎宁乙基氯化物 (CAS 63717-07-7) is a chemical compound with molecular formula C22H29ClN2O2 and molecular weight 388.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奎宁乙基氯化物
(S)-[(2R)-5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chloride
Also Known As: Quinine, ethochloride, 1-Ethyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride, Ethane, chloro-, compd. with (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1), (1xi,3xi,9S)-1-Ethyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride, CINCHONAN-9-OL, 6'-METHOXY-, (8-alpha,9R)-, compd. with CHLOROETHANE (1:1)
| Molecular Formula | C22H29ClN2O2 |
|---|---|
| Molecular Weight | 388.19 g/mol |
| LogP | 0.71 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.19174 |
| Heavy Atoms | 27 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 63717-07-7 |
|---|---|
| SMILES | CC[N+]12CCC(C[C@@H]1[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[Cl-] |
| InChIKey | NLVVRLKFCOJPRR-NYHCBIMJSA-M |
Product Overview
奎宁乙基氯化物 (CAS 63717-07-7), with molecular formula C22H29ClN2O2 and molecular weight 388.19 g/mol. IUPAC: (S)-[(2R)-5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chloride.
Chemical Property Profile of 奎宁乙基氯化物
Property Insights of 奎宁乙基氯化物
The XLogP value of 0.71 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 奎宁乙基氯化物. With a topological polar surface area (TPSA) of 42.4 Ų, 奎宁乙基氯化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奎宁乙基氯化物 has 1 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 奎宁乙基氯化物?
The CAS number of 奎宁乙基氯化物 is 63717-07-7.
What is the molecular formula of 奎宁乙基氯化物?
The molecular formula of 奎宁乙基氯化物 is C22H29ClN2O2.
What is the molecular weight of 奎宁乙基氯化物?
The molecular weight of 奎宁乙基氯化物 is 388.19 g/mol.
Where can I buy 奎宁乙基氯化物?
You can request a quote for 奎宁乙基氯化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奎宁乙基氯化物?
Yes, KEHONG BIO provides custom synthesis services for 奎宁乙基氯化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.