3-Phenylpropanoyl fluoride
TL;DR: 3-Phenylpropanoyl fluoride (CAS 458-69-5) is a chemical compound with molecular formula C9H9FO and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropanoyl fluoride
Also Known As: 3-Phenylpropanoyl fluoride, Hydrocinnamoyl fluoride, 3-Phenylpropionyl fluoride, Benzenepropanoyl fluoride, Benzenepropanoicacidfluoride
| Molecular Formula | C9H9FO |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.06374 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 458-69-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)F |
| InChIKey | MRRVLNNTYYARRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylpropanoyl fluoride (CAS 458-69-5), with molecular formula C9H9FO and molecular weight 152.06 g/mol. IUPAC: 3-phenylpropanoyl fluoride.
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
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 152.06 g/mol.
Where can I buy 3-Phenylpropanoyl fluoride?
You can request a quote for 3-Phenylpropanoyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropanoyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropanoyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.