3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole
TL;DR: 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole (CAS 321571-03-3) is a chemical compound with molecular formula C16H10FN3O and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole
Also Known As: benzisoxazole, 1, Bionet2_000804, 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole, 3J-914, 3-(4-fluorophenyl)-5-(1H-pyrazol-3-yl)-2,1-benzoxazole
| Molecular Formula | C16H10FN3O |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 4.024 |
| Topological Polar Surface Area | 54.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.08078 |
| Heavy Atoms | 21 |
| Complexity | 895.08484 |
Chemical Identifiers
| CAS Number | 321571-03-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)C4=CC=NN4)F |
Product Overview
3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole (CAS 321571-03-3), with molecular formula C16H10FN3O and molecular weight 279.08 g/mol. IUPAC: 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole.
Chemical Property Profile of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole
Property Insights of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole
The XLogP value of 4.024 indicates that 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.71 Ų, 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole has 1 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 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole?
The CAS number of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole is 321571-03-3.
What is the molecular formula of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole?
The molecular formula of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole is C16H10FN3O.
What is the molecular weight of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole?
The molecular weight of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole is 279.08 g/mol.
Where can I buy 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole?
You can request a quote for 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.