Naphthalen-1-yl 4-fluorobenzoate
TL;DR: Naphthalen-1-yl 4-fluorobenzoate (CAS 90172-40-0) is a chemical compound with molecular formula C17H11FO2 and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl 4-fluorobenzoate
Also Known As: 1-Naphthyl 4-fluorobenzoate, naphthalen-1-yl 4-fluorobenzoate, 1-Naphthyl 4-fluorobenzoate #, 4-Fluorobenzoic acid, 1-naphthyl ester, F3386-5872
| Molecular Formula | C17H11FO2 |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0743 |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 90172-40-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC=C(C=C3)F |
| InChIKey | PZESZADVTLVJAW-UHFFFAOYSA-N |
Product Overview
Naphthalen-1-yl 4-fluorobenzoate (CAS 90172-40-0), with molecular formula C17H11FO2 and molecular weight 266.07 g/mol. IUPAC: naphthalen-1-yl 4-fluorobenzoate.
Chemical Property Profile of Naphthalen-1-yl 4-fluorobenzoate
Property Insights of Naphthalen-1-yl 4-fluorobenzoate
The XLogP value of 4.5 indicates that Naphthalen-1-yl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Naphthalen-1-yl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphthalen-1-yl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 3 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 Naphthalen-1-yl 4-fluorobenzoate?
The CAS number of Naphthalen-1-yl 4-fluorobenzoate is 90172-40-0.
What is the molecular formula of Naphthalen-1-yl 4-fluorobenzoate?
The molecular formula of Naphthalen-1-yl 4-fluorobenzoate is C17H11FO2.
What is the molecular weight of Naphthalen-1-yl 4-fluorobenzoate?
The molecular weight of Naphthalen-1-yl 4-fluorobenzoate is 266.07 g/mol.
Where can I buy Naphthalen-1-yl 4-fluorobenzoate?
You can request a quote for Naphthalen-1-yl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalen-1-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Naphthalen-1-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.