1-乙基-9-羟基金鸡纳烷-1-鎓碘化物
TL;DR: 1-乙基-9-羟基金鸡纳烷-1-鎓碘化物 (CAS 73771-80-9) is a chemical compound with molecular formula C21H27IN2O and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-乙基-9-羟基金鸡纳烷-1-鎓碘化物
(S)-[(2R)-5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol iodide
Also Known As: Cinchonidine ethiodide, Cinchonine ethiodide, 1-Ethyl-9-hydroxycinchonan-1-ium iodide, (8-alpha,9R)-9-Hydroxy-ethylcinchonan-1-ium iodide, Cinchonan-1-ium, 1-ethyl-9-hydroxy-, iodide, (8-alpha,9R)-
| Molecular Formula | C21H27IN2O |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.11682 |
| Heavy Atoms | 25 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 73771-80-9 |
|---|---|
| SMILES | CC[N+]12CCC(C[C@@H]1[C@H](C3=CC=NC4=CC=CC=C34)O)C(C2)C=C.[I-] |
| InChIKey | CIROVDBLKVOBDQ-HNDFRWABSA-M |
Product Overview
1-乙基-9-羟基金鸡纳烷-1-鎓碘化物 (CAS 73771-80-9), with molecular formula C21H27IN2O and molecular weight 450.12 g/mol. IUPAC: (S)-[(2R)-5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol iodide.
Chemical Property Profile of 1-乙基-9-羟基金鸡纳烷-1-鎓碘化物
Property Insights of 1-乙基-9-羟基金鸡纳烷-1-鎓碘化物
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-乙基-9-羟基金鸡纳烷-1-鎓碘化物. With a topological polar surface area (TPSA) of 33.1 Ų, 1-乙基-9-羟基金鸡纳烷-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-羟基金鸡纳烷-1-鎓碘化物 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 1-乙基-9-羟基金鸡纳烷-1-鎓碘化物?
The CAS number of 1-乙基-9-羟基金鸡纳烷-1-鎓碘化物 is 73771-80-9.
What is the molecular formula of 1-乙基-9-羟基金鸡纳烷-1-鎓碘化物?
The molecular formula of 1-乙基-9-羟基金鸡纳烷-1-鎓碘化物 is C21H27IN2O.
What is the molecular weight of 1-乙基-9-羟基金鸡纳烷-1-鎓碘化物?
The molecular weight of 1-乙基-9-羟基金鸡纳烷-1-鎓碘化物 is 450.12 g/mol.
Where can I buy 1-乙基-9-羟基金鸡纳烷-1-鎓碘化物?
You can request a quote for 1-乙基-9-羟基金鸡纳烷-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-羟基金鸡纳烷-1-鎓碘化物?
Yes, KEHONG BIO provides custom synthesis services for 1-乙基-9-羟基金鸡纳烷-1-鎓碘化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.