3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)-
TL;DR: 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)- (CAS 63716-81-4) is a chemical compound with molecular formula C16H33N3O and molecular weight 283.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[2-(diethylamino)ethylamino]methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanol
Also Known As: 4-22-00-05558 (Beilstein Handbook Reference), 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)-, 2-[[2- ethyl]aminomethyl]-3-quinuclidineethanol, 1-azabicyclo[2.2.2]octane-3-ethanol, 2-[[[2-(diethylamino)ethyl]amino]methyl]-, 2-[[2-(Diethylamino)ethyl]aminomethyl]-3-quinuclidineethanol
| Molecular Formula | C16H33N3O |
|---|---|
| Molecular Weight | 283.26 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 283.26236 |
| Heavy Atoms | 20 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 63716-81-4 |
|---|---|
| SMILES | CCN(CC)CCNCC1C(C2CCN1CC2)CCO |
| InChIKey | RIIKPLGIMDVDSV-UHFFFAOYSA-N |
Product Overview
3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)- (CAS 63716-81-4), with molecular formula C16H33N3O and molecular weight 283.26 g/mol. IUPAC: 2-[2-[[2-(diethylamino)ethylamino]methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanol.
Chemical Property Profile of 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)-
Property Insights of 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)-. With a topological polar surface area (TPSA) of 38.7 Ų, 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)- has 2 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 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)-?
The CAS number of 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)- is 63716-81-4.
What is the molecular formula of 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)-?
The molecular formula of 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)- is C16H33N3O.
What is the molecular weight of 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)-?
The molecular weight of 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)- is 283.26 g/mol.
Where can I buy 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)-?
You can request a quote for 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinuclidineethanol, 2-((2-diethylaminoethyl)aminomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.