2-Formyl-2-phenylacetonitrile
TL;DR: 2-Formyl-2-phenylacetonitrile (CAS 58412-81-0) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-2-phenylpropanenitrile
Also Known As: 3-oxo-2-phenylpropanenitrile, 2-Formyl-2-phenylacetonitrile, Cyanophenylacetaldehyde, Phenylcyanoacetaldehyde, 3-Hydroxy-2-phenylacrylonitrile
| Molecular Formula | C9H7NO |
|---|---|
| Molecular Weight | 145.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.05276 |
| Heavy Atoms | 11 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 58412-81-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C=O)C#N |
| InChIKey | MGDKAIHGKFPFTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Formyl-2-phenylacetonitrile (CAS 58412-81-0), with molecular formula C9H7NO and molecular weight 145.05 g/mol. IUPAC: 3-oxo-2-phenylpropanenitrile.
Chemical Property Profile of 2-Formyl-2-phenylacetonitrile
Property Insights of 2-Formyl-2-phenylacetonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Formyl-2-phenylacetonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 2-Formyl-2-phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Formyl-2-phenylacetonitrile has 0 hydrogen bond donor(s) and 2 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 2-Formyl-2-phenylacetonitrile?
The CAS number of 2-Formyl-2-phenylacetonitrile is 58412-81-0.
What is the molecular formula of 2-Formyl-2-phenylacetonitrile?
The molecular formula of 2-Formyl-2-phenylacetonitrile is C9H7NO.
What is the molecular weight of 2-Formyl-2-phenylacetonitrile?
The molecular weight of 2-Formyl-2-phenylacetonitrile is 145.05 g/mol.
Where can I buy 2-Formyl-2-phenylacetonitrile?
You can request a quote for 2-Formyl-2-phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Formyl-2-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Formyl-2-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.