Cinnamoylbenzene
TL;DR: Cinnamoylbenzene (CAS 94-41-7) is a chemical compound with molecular formula C15H12O and molecular weight 208.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-diphenylprop-2-en-1-one
Also Known As: Chalcone, trans-Chalcone, Benzalacetophenone, Cinnamoylbenzene, (E)-Chalcone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H12O |
| Molecular Weight | 208.08882 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.08882 Da |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
| SMILES | C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2 |
| InChIKey | DQFBYFPFKXHELB-UHFFFAOYSA-N |
Product Description
Applications: Cinnamoylbenzene 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 Cinnamoylbenzene (CAS 94-41-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Cinnamoylbenzene (CAS 94-41-7) is a pharmaceutical intermediate with the molecular formula C15H12O and a molecular weight of 208.09 g/mol. It is also known as Chalcone and trans-Chalcone.
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 Cinnamoylbenzene
Property Insights of Cinnamoylbenzene
The XLogP value of 3.1 indicates that Cinnamoylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Cinnamoylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamoylbenzene 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 Cinnamoylbenzene?
The CAS number of Cinnamoylbenzene is 94-41-7.
What is the molecular formula of Cinnamoylbenzene?
The molecular formula of Cinnamoylbenzene is C15H12O.
What is the molecular weight of Cinnamoylbenzene?
The molecular weight of Cinnamoylbenzene is 208.08882 g/mol.
What are the applications of Cinnamoylbenzene?
Cinnamoylbenzene 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 Cinnamoylbenzene (CAS 94-41-7) with...
Where can I buy Cinnamoylbenzene?
You can request a quote for Cinnamoylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cinnamoylbenzene?
Yes, CoreyChem provides custom synthesis services for Cinnamoylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.