Butyrophenone
TL;DR: Butyrophenone (CAS 495-40-9) is a chemical compound with molecular formula C10H12O and molecular weight 148.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenylbutan-1-one
Also Known As: BUTYROPHENONE, 1-phenylbutan-1-one, n-Butyrophenone, Phenyl propyl ketone, 1-Butanone, 1-phenyl-
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O |
| Molecular Weight | 148.08882 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.08882 Da |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
| Vapor Pressure | 0.08 [mmHg] |
| SMILES | CCCC(=O)C1=CC=CC=C1 |
| InChIKey | FFSAXUULYPJSKH-UHFFFAOYSA-N |
Product Description
Applications: Butyrophenone 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 Butyrophenone (CAS 495-40-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Butyrophenone (CAS 495-40-9) is a pharmaceutical intermediate with the molecular formula C10H12O and a molecular weight of 148.09 g/mol. It is also known as BUTYROPHENONE and 1-phenylbutan-1-one.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Butyrophenone
Property Insights of Butyrophenone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrophenone. With a topological polar surface area (TPSA) of 17.1 Ų, Butyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butyrophenone?
The CAS number of Butyrophenone is 495-40-9.
What is the molecular formula of Butyrophenone?
The molecular formula of Butyrophenone is C10H12O.
What is the molecular weight of Butyrophenone?
The molecular weight of Butyrophenone is 148.08882 g/mol.
What are the applications of Butyrophenone?
Butyrophenone 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 Butyrophenone (CAS 495-40-9) with custom...
Where can I buy Butyrophenone?
You can request a quote for Butyrophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyrophenone?
Yes, CoreyChem provides custom synthesis services for Butyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.