3-Hydroxyquinuclidine-3-carbonitrile
TL;DR: 3-Hydroxyquinuclidine-3-carbonitrile (CAS 313643-36-6) is a chemical compound with molecular formula C8H12N2O and molecular weight 152.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-1-azabicyclo[2.2.2]octane-3-carbonitrile
Also Known As: 3-Hydroxyquinuclidine-3-carbonitrile, Maybridge1_005096, 3-hydroxy-1-azabicyclo[2.2.2]octane-3-carbonitrile, 3-Cyano-3-hydroxyquinuclidine, 3-hydroxy-3-cyanoquinuclidine
| Molecular Formula | C8H12N2O |
|---|---|
| Molecular Weight | 152.09 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.09496 |
| Heavy Atoms | 11 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 313643-36-6 |
|---|---|
| SMILES | C1CN2CCC1C(C2)(C#N)O |
| InChIKey | BEDKJKABPPDZNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxyquinuclidine-3-carbonitrile (CAS 313643-36-6), with molecular formula C8H12N2O and molecular weight 152.09 g/mol. IUPAC: 3-hydroxy-1-azabicyclo[2.2.2]octane-3-carbonitrile.
Chemical Property Profile of 3-Hydroxyquinuclidine-3-carbonitrile
Property Insights of 3-Hydroxyquinuclidine-3-carbonitrile
The XLogP value of -0.3 indicates that 3-Hydroxyquinuclidine-3-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.3 Ų, 3-Hydroxyquinuclidine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyquinuclidine-3-carbonitrile 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-Hydroxyquinuclidine-3-carbonitrile?
The CAS number of 3-Hydroxyquinuclidine-3-carbonitrile is 313643-36-6.
What is the molecular formula of 3-Hydroxyquinuclidine-3-carbonitrile?
The molecular formula of 3-Hydroxyquinuclidine-3-carbonitrile is C8H12N2O.
What is the molecular weight of 3-Hydroxyquinuclidine-3-carbonitrile?
The molecular weight of 3-Hydroxyquinuclidine-3-carbonitrile is 152.09 g/mol.
Where can I buy 3-Hydroxyquinuclidine-3-carbonitrile?
You can request a quote for 3-Hydroxyquinuclidine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyquinuclidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyquinuclidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.