3-Quinuclidinemalononitrile
TL;DR: 3-Quinuclidinemalononitrile (CAS 102338-72-7) is a chemical compound with molecular formula C10H13N3 and molecular weight 175.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-azabicyclo[2.2.2]octan-3-yl)propanedinitrile
Also Known As: 3-Quinuclidinemalononitrile, 2-quinuclidin-3-ylpropanedinitrile, alpha-Cyano-3-quinuclidineacetonitrile, 2-(1-Azabicyclo[2.2.2]oct-3-yl)malononitrile, NCI60_022233
| Molecular Formula | C10H13N3 |
|---|---|
| Molecular Weight | 175.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.11095 |
| Heavy Atoms | 13 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 102338-72-7 |
|---|---|
| SMILES | C1CN2CCC1C(C2)C(C#N)C#N |
| InChIKey | BUKCFODSLIUASM-UHFFFAOYSA-N |
Product Overview
3-Quinuclidinemalononitrile (CAS 102338-72-7), with molecular formula C10H13N3 and molecular weight 175.11 g/mol. IUPAC: 2-(1-azabicyclo[2.2.2]octan-3-yl)propanedinitrile.
Chemical Property Profile of 3-Quinuclidinemalononitrile
Property Insights of 3-Quinuclidinemalononitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinuclidinemalononitrile. With a topological polar surface area (TPSA) of 50.8 Ų, 3-Quinuclidinemalononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinuclidinemalononitrile has 0 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-Quinuclidinemalononitrile?
The CAS number of 3-Quinuclidinemalononitrile is 102338-72-7.
What is the molecular formula of 3-Quinuclidinemalononitrile?
The molecular formula of 3-Quinuclidinemalononitrile is C10H13N3.
What is the molecular weight of 3-Quinuclidinemalononitrile?
The molecular weight of 3-Quinuclidinemalononitrile is 175.11 g/mol.
Where can I buy 3-Quinuclidinemalononitrile?
You can request a quote for 3-Quinuclidinemalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinuclidinemalononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinuclidinemalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.