5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole
TL;DR: 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole (CAS 439095-17-7) is a chemical compound with molecular formula C16H12FNO3 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole
Also Known As: 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole, 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole, RefChem:299212
| Molecular Formula | C16H12FNO3 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 3.6793 |
| Topological Polar Surface Area | 44.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.0801 |
| Heavy Atoms | 21 |
| Complexity | 775.82135 |
Chemical Identifiers
| CAS Number | 439095-17-7 |
|---|---|
| SMILES | C1COC(O1)C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)F |
Product Overview
5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole (CAS 439095-17-7), with molecular formula C16H12FNO3 and molecular weight 285.08 g/mol. IUPAC: 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole.
Chemical Property Profile of 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole
Property Insights of 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole
The XLogP value of 3.6793 indicates that 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.49 Ų, 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole 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 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole?
The CAS number of 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole is 439095-17-7.
What is the molecular formula of 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole?
The molecular formula of 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole is C16H12FNO3.
What is the molecular weight of 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole?
The molecular weight of 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole is 285.08 g/mol.
Where can I buy 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole?
You can request a quote for 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.