3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)-
TL;DR: 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)- (CAS 64461-82-1) is a chemical compound with molecular formula C19H39N3O and molecular weight 325.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[5-(diethylamino)pentan-2-ylamino]methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanol
Also Known As: Tizanidine hydrochloride, Tizanidinehydrochloride, 2-[2-({[5-(diethylamino)pentan-2-yl]amino}methyl)-1-azabicyclo[2.2.2]oct-3-yl]ethanol, 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)-, 2-[2-[[5-(diethylamino)pentan-2-ylamino]methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanol
| Molecular Formula | C19H39N3O |
|---|---|
| Molecular Weight | 325.31 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 325.30933 |
| Heavy Atoms | 23 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 64461-82-1 |
|---|---|
| SMILES | CCN(CC)CCCC(C)NCC1C(C2CCN1CC2)CCO |
| InChIKey | GQKINSNJXWWLPV-UHFFFAOYSA-N |
Product Overview
3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)- (CAS 64461-82-1), with molecular formula C19H39N3O and molecular weight 325.31 g/mol. IUPAC: 2-[2-[[5-(diethylamino)pentan-2-ylamino]methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanol.
Chemical Property Profile of 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)-
Property Insights of 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)-. With a topological polar surface area (TPSA) of 38.7 Ų, 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)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-(((4-diethylamino-1-methyl)butyl)aminomethyl)-?
The CAS number of 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)- is 64461-82-1.
What is the molecular formula of 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)-?
The molecular formula of 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)- is C19H39N3O.
What is the molecular weight of 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)-?
The molecular weight of 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)- is 325.31 g/mol.
Where can I buy 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)-?
You can request a quote for 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)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-(((4-diethylamino-1-methyl)butyl)aminomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinuclidineethanol, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.