1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物
TL;DR: 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物 (CAS 73771-81-0) is a chemical compound with molecular formula C22H29IN2O2 and molecular weight 480.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物
(S)-[(2R)-5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol iodide
Also Known As: Quinine ethiodide, Ethylquinidinium, iodide, 1-Ethyl-9-hydroxy-6'-methoxycinchonan-1-ium iodide, (8-alpha,9R)-1-Ethyl-9-hydroxy-6'-methoxycinchonan-1-ium iodide, Quinuclidinium, 6-(hydroxy(6-methoxy-4-quinolinyl)methyl)-1-ethyl-3-vinyl-, iodide
| Molecular Formula | C22H29IN2O2 |
|---|---|
| Molecular Weight | 480.13 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 | 480.12738 |
| Heavy Atoms | 27 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 73771-81-0 |
|---|---|
| SMILES | CC[N+]12CCC(C[C@@H]1[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[I-] |
| InChIKey | QGKRCDXLQCXCNP-NYHCBIMJSA-M |
Product Overview
1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物 (CAS 73771-81-0), with molecular formula C22H29IN2O2 and molecular weight 480.13 g/mol. IUPAC: (S)-[(2R)-5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol iodide.
Chemical Property Profile of 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物
Property Insights of 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物
The XLogP value of 0.71 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物. With a topological polar surface area (TPSA) of 42.4 Ų, 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物 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 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物?
The CAS number of 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物 is 73771-81-0.
What is the molecular formula of 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物?
The molecular formula of 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物 is C22H29IN2O2.
What is the molecular weight of 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物?
The molecular weight of 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物 is 480.13 g/mol.
Where can I buy 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物?
You can request a quote for 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物?
Yes, KEHONG BIO provides custom synthesis services for 1-乙基-9-羟基-6'-甲氧基金鸡纳烷-1-鎓碘化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.