3-Phenylpropanoyl fluoride
TL;DR: 3-Phenylpropanoyl fluoride (CAS 458-69-5) is a chemical compound with molecular formula C9H9FO and molecular weight 152.06374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylpropanoyl fluoride
Also Known As: 3-Phenylpropanoyl fluoride, Hydrocinnamoyl fluoride, 3-Phenylpropionyl fluoride, Benzenepropanoyl fluoride, Benzenepropanoicacidfluoride
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9FO |
| Molecular Weight | 152.06374 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.06374 Da |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
| SMILES | C1=CC=C(C=C1)CCC(=O)F |
| InChIKey | MRRVLNNTYYARRY-UHFFFAOYSA-N |
Product Description
Applications: 3-Phenylpropanoyl fluoride 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Phenylpropanoyl fluoride is a pharmaceutical intermediate identified by CAS number 458-69-5 and the molecular formula C9H9FO and a molecular weight of 152.06 g/mol. Synonyms include 3-Phenylpropanoyl fluoride and Hydrocinnamoyl fluoride.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Phenylpropanoyl fluoride
Property Insights of 3-Phenylpropanoyl fluoride
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylpropanoyl fluoride. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Phenylpropanoyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropanoyl fluoride 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-Phenylpropanoyl fluoride?
The CAS number of 3-Phenylpropanoyl fluoride is 458-69-5.
What is the molecular formula of 3-Phenylpropanoyl fluoride?
The molecular formula of 3-Phenylpropanoyl fluoride is C9H9FO.
What is the molecular weight of 3-Phenylpropanoyl fluoride?
The molecular weight of 3-Phenylpropanoyl fluoride is 152.06374 g/mol.
What are the applications of 3-Phenylpropanoyl fluoride?
3-Phenylpropanoyl fluoride 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. Available from CoreyChem as both catalog item...
Where can I buy 3-Phenylpropanoyl fluoride?
You can request a quote for 3-Phenylpropanoyl fluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenylpropanoyl fluoride?
Yes, CoreyChem provides custom synthesis services for 3-Phenylpropanoyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.