3-Oxo-2,3-diphenyl-propionitrile
TL;DR: 3-Oxo-2,3-diphenyl-propionitrile (CAS 5415-07-6) is a chemical compound with molecular formula C15H11NO and molecular weight 221.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-oxo-2,3-diphenylpropanenitrile
Also Known As: 3-oxo-2,3-diphenylpropanenitrile, Benzoylphenylacetonitrile, alpha-Cyanodeoxybenzoin, Phenylbenzoylacetonitrile, alpha-Benzoylbenzyl cyanide
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H11NO |
| Molecular Weight | 221.08406 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.08406 Da |
| Heavy Atoms | 17 |
| Complexity | 302.0 |
| SMILES | C1=CC=C(C=C1)C(C#N)C(=O)C2=CC=CC=C2 |
| InChIKey | JATZBKSNYZHCOC-UHFFFAOYSA-N |
Product Description
Applications: 3-Oxo-2,3-diphenyl-propionitrile is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Oxo-2,3-diphenyl-propionitrile (CAS 5415-07-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Oxo-2,3-diphenyl-propionitrile (CAS 5415-07-6) is a pharmaceutical intermediate with the molecular formula C15H11NO and a molecular weight of 221.08 g/mol. It is also known as 3-oxo-2,3-diphenylpropanenitrile and Benzoylphenylacetonitrile.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Oxo-2,3-diphenyl-propionitrile
Property Insights of 3-Oxo-2,3-diphenyl-propionitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-2,3-diphenyl-propionitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 3-Oxo-2,3-diphenyl-propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-2,3-diphenyl-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
What is the CAS number of 3-Oxo-2,3-diphenyl-propionitrile?
The CAS number of 3-Oxo-2,3-diphenyl-propionitrile is 5415-07-6.
What is the molecular formula of 3-Oxo-2,3-diphenyl-propionitrile?
The molecular formula of 3-Oxo-2,3-diphenyl-propionitrile is C15H11NO.
What is the molecular weight of 3-Oxo-2,3-diphenyl-propionitrile?
The molecular weight of 3-Oxo-2,3-diphenyl-propionitrile is 221.08406 g/mol.
What are the applications of 3-Oxo-2,3-diphenyl-propionitrile?
3-Oxo-2,3-diphenyl-propionitrile is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 3-Oxo-2,3-diphenyl-propionitrile?
You can request a quote for 3-Oxo-2,3-diphenyl-propionitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Oxo-2,3-diphenyl-propionitrile?
Yes, CoreyChem provides custom synthesis services for 3-Oxo-2,3-diphenyl-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.