3-Ketoquinuclidine oxime hydrochloride
TL;DR: 3-Ketoquinuclidine oxime hydrochloride (CAS 76883-37-9) is a chemical compound with molecular formula C7H13ClN2O and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-azabicyclo[2.2.2]octan-3-ylidene)hydroxylamine;hydrochloride
Also Known As: Quinuclidin-3-one oxime hydrochloride, quinuclidin-3-one oxime;hydrochloride, 3-ketoquinuclidine oxime hydrochloride, [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE,2,7-DIMETHYL-, N-[(3Z)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine hydrochloride
| Molecular Formula | C7H13ClN2O |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | 0.964 |
| Topological Polar Surface Area | 35.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.07164 |
| Heavy Atoms | 11 |
| Complexity | 163.8235 |
Chemical Identifiers
| CAS Number | 76883-37-9 |
|---|---|
| SMILES | C1CN2CCC1C(=NO)C2.Cl |
Product Overview
3-Ketoquinuclidine oxime hydrochloride (CAS 76883-37-9), with molecular formula C7H13ClN2O and molecular weight 176.07 g/mol. IUPAC: N-(1-azabicyclo[2.2.2]octan-3-ylidene)hydroxylamine;hydrochloride.
Chemical Property Profile of 3-Ketoquinuclidine oxime hydrochloride
Property Insights of 3-Ketoquinuclidine oxime hydrochloride
The XLogP value of 0.964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ketoquinuclidine oxime hydrochloride. With a topological polar surface area (TPSA) of 35.83 Ų, 3-Ketoquinuclidine oxime hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ketoquinuclidine oxime hydrochloride 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 3-Ketoquinuclidine oxime hydrochloride?
The CAS number of 3-Ketoquinuclidine oxime hydrochloride is 76883-37-9.
What is the molecular formula of 3-Ketoquinuclidine oxime hydrochloride?
The molecular formula of 3-Ketoquinuclidine oxime hydrochloride is C7H13ClN2O.
What is the molecular weight of 3-Ketoquinuclidine oxime hydrochloride?
The molecular weight of 3-Ketoquinuclidine oxime hydrochloride is 176.07 g/mol.
Where can I buy 3-Ketoquinuclidine oxime hydrochloride?
You can request a quote for 3-Ketoquinuclidine oxime hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ketoquinuclidine oxime hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Ketoquinuclidine oxime hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.