3-Oxo-2-(quinolin-2-YL)propanenitrile
TL;DR: 3-Oxo-2-(quinolin-2-YL)propanenitrile (CAS 327104-75-6) is a chemical compound with molecular formula C12H8N2O and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-2-quinolin-2-ylpropanenitrile
Also Known As: 2-Quinolineacetonitrile, alpha-formyl-, 3-OXO-2-(QUINOLIN-2-YL)PROPANENITRILE, 3-oxo-2-quinolin-2-ylpropanenitrile, 3-oxo-2-quinolin-2-yl-propanenitrile, UPCMLD0ENAT0504-3360:001
| Molecular Formula | C12H8N2O |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.04088 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.06366 |
| Heavy Atoms | 15 |
| Complexity | 542.5586 |
Chemical Identifiers
| CAS Number | 327104-75-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)C(C=O)C#N |
Product Overview
3-Oxo-2-(quinolin-2-YL)propanenitrile (CAS 327104-75-6), with molecular formula C12H8N2O and molecular weight 196.06 g/mol. IUPAC: 3-oxo-2-quinolin-2-ylpropanenitrile.
Chemical Property Profile of 3-Oxo-2-(quinolin-2-YL)propanenitrile
Property Insights of 3-Oxo-2-(quinolin-2-YL)propanenitrile
The XLogP value of 2.04088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-2-(quinolin-2-YL)propanenitrile. With a topological polar surface area (TPSA) of 53.75 Ų, 3-Oxo-2-(quinolin-2-YL)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-2-(quinolin-2-YL)propanenitrile 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-Oxo-2-(quinolin-2-YL)propanenitrile?
The CAS number of 3-Oxo-2-(quinolin-2-YL)propanenitrile is 327104-75-6.
What is the molecular formula of 3-Oxo-2-(quinolin-2-YL)propanenitrile?
The molecular formula of 3-Oxo-2-(quinolin-2-YL)propanenitrile is C12H8N2O.
What is the molecular weight of 3-Oxo-2-(quinolin-2-YL)propanenitrile?
The molecular weight of 3-Oxo-2-(quinolin-2-YL)propanenitrile is 196.06 g/mol.
Where can I buy 3-Oxo-2-(quinolin-2-YL)propanenitrile?
You can request a quote for 3-Oxo-2-(quinolin-2-YL)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-2-(quinolin-2-YL)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-2-(quinolin-2-YL)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.