2-(3-Benzoylphenyl)propionitrile
TL;DR: 2-(3-Benzoylphenyl)propionitrile (CAS 42872-30-0) is a chemical compound with molecular formula C16H13NO and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzoylphenyl)propanenitrile
Also Known As: 2-(3-Benzoylphenyl)propionitrile, 2-(3-Benzoylphenyl)propanenitrile, null, Ketonitrile, Ketprofen nitrile
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 42872-30-0 |
|---|---|
| SMILES | CC(C#N)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | RGYOCHMZSLUCNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Benzoylphenyl)propionitrile (CAS 42872-30-0), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 2-(3-benzoylphenyl)propanenitrile.
Chemical Property Profile of 2-(3-Benzoylphenyl)propionitrile
Property Insights of 2-(3-Benzoylphenyl)propionitrile
The XLogP value of 3.3 indicates that 2-(3-Benzoylphenyl)propionitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 2-(3-Benzoylphenyl)propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Benzoylphenyl)propionitrile 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-(3-Benzoylphenyl)propionitrile?
The CAS number of 2-(3-Benzoylphenyl)propionitrile is 42872-30-0.
What is the molecular formula of 2-(3-Benzoylphenyl)propionitrile?
The molecular formula of 2-(3-Benzoylphenyl)propionitrile is C16H13NO.
What is the molecular weight of 2-(3-Benzoylphenyl)propionitrile?
The molecular weight of 2-(3-Benzoylphenyl)propionitrile is 235.10 g/mol.
Where can I buy 2-(3-Benzoylphenyl)propionitrile?
You can request a quote for 2-(3-Benzoylphenyl)propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Benzoylphenyl)propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Benzoylphenyl)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.