3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole
TL;DR: 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole (CAS 321998-10-1) is a chemical compound with molecular formula C22H14ClN3O and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-(2-phenylpyrazol-3-yl)-2,1-benzoxazole
Also Known As: Bionet1_001835, 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole, 3-(4-chlorophenyl)-5-(2-phenylpyrazol-3-yl)-2,1-benzoxazole, 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzoxazole, 10H-943
| Molecular Formula | C22H14ClN3O |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 6.0009 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.08255 |
| Heavy Atoms | 27 |
| Complexity | 1223.6533 |
Chemical Identifiers
| CAS Number | 321998-10-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=CC=N2)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl |
Product Overview
3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole (CAS 321998-10-1), with molecular formula C22H14ClN3O and molecular weight 371.08 g/mol. IUPAC: 3-(4-chlorophenyl)-5-(2-phenylpyrazol-3-yl)-2,1-benzoxazole.
Chemical Property Profile of 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole
Property Insights of 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole
The XLogP value of 6.0009 indicates that 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.85 Ų, 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole?
The CAS number of 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole is 321998-10-1.
What is the molecular formula of 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole?
The molecular formula of 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole is C22H14ClN3O.
What is the molecular weight of 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole?
The molecular weight of 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole is 371.08 g/mol.
Where can I buy 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole?
You can request a quote for 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-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 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)-2,1-benzisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.