4-Cyano-3-fluorophenyl 4-Propylbenzoate
TL;DR: 4-Cyano-3-fluorophenyl 4-Propylbenzoate (CAS 86776-51-4) is a chemical compound with molecular formula C17H14FNO2 and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyano-3-fluorophenyl) 4-propylbenzoate
Also Known As: 4-Cyano-3-fluorophenyl 4-propylbenzoate, me-3nf, 3BzoFCP, (4-cyano-3-fluorophenyl) 4-propylbenzoate, 4-cyano-3-fluorophenyl-4-propylbenzoate
| Molecular Formula | C17H14FNO2 |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.10086 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 86776-51-4 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F |
| InChIKey | RDPCRVRASQOZBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyano-3-fluorophenyl 4-Propylbenzoate (CAS 86776-51-4), with molecular formula C17H14FNO2 and molecular weight 283.10 g/mol. IUPAC: (4-cyano-3-fluorophenyl) 4-propylbenzoate.
Chemical Property Profile of 4-Cyano-3-fluorophenyl 4-Propylbenzoate
Property Insights of 4-Cyano-3-fluorophenyl 4-Propylbenzoate
The XLogP value of 4.5 indicates that 4-Cyano-3-fluorophenyl 4-Propylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 4-Cyano-3-fluorophenyl 4-Propylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-3-fluorophenyl 4-Propylbenzoate has 0 hydrogen bond donor(s) and 4 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 4-Cyano-3-fluorophenyl 4-Propylbenzoate?
The CAS number of 4-Cyano-3-fluorophenyl 4-Propylbenzoate is 86776-51-4.
What is the molecular formula of 4-Cyano-3-fluorophenyl 4-Propylbenzoate?
The molecular formula of 4-Cyano-3-fluorophenyl 4-Propylbenzoate is C17H14FNO2.
What is the molecular weight of 4-Cyano-3-fluorophenyl 4-Propylbenzoate?
The molecular weight of 4-Cyano-3-fluorophenyl 4-Propylbenzoate is 283.10 g/mol.
Where can I buy 4-Cyano-3-fluorophenyl 4-Propylbenzoate?
You can request a quote for 4-Cyano-3-fluorophenyl 4-Propylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-3-fluorophenyl 4-Propylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-3-fluorophenyl 4-Propylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.