2-(1H-Pyrazol-4-yl)-benzoxazole
TL;DR: 2-(1H-Pyrazol-4-yl)-benzoxazole (CAS 39116-31-9) is a chemical compound with molecular formula C10H7N3O and molecular weight 185.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-pyrazol-4-yl)-1,3-benzoxazole
Also Known As: 2-(1H-pyrazol-4-yl)-1,3-benzoxazole, Peakdale1_002063, 2-(1h-pyrazol-4-yl)-benzoxazole, Benzoxazole, 2-(1H-pyrazol-4-yl)-, 2-(1H-pyrazol-4-yl)-benzooxazole
| Molecular Formula | C10H7N3O |
|---|---|
| Molecular Weight | 185.06 g/mol |
| LogP | 2.2179 |
| Topological Polar Surface Area | 54.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.05891 |
| Heavy Atoms | 14 |
| Complexity | 520.5286 |
Chemical Identifiers
| CAS Number | 39116-31-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CNN=C3 |
Product Overview
2-(1H-Pyrazol-4-yl)-benzoxazole (CAS 39116-31-9), with molecular formula C10H7N3O and molecular weight 185.06 g/mol. IUPAC: 2-(1H-pyrazol-4-yl)-1,3-benzoxazole.
Chemical Property Profile of 2-(1H-Pyrazol-4-yl)-benzoxazole
Property Insights of 2-(1H-Pyrazol-4-yl)-benzoxazole
The XLogP value of 2.2179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-Pyrazol-4-yl)-benzoxazole. With a topological polar surface area (TPSA) of 54.71 Ų, 2-(1H-Pyrazol-4-yl)-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-Pyrazol-4-yl)-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 2-(1H-Pyrazol-4-yl)-benzoxazole?
The CAS number of 2-(1H-Pyrazol-4-yl)-benzoxazole is 39116-31-9.
What is the molecular formula of 2-(1H-Pyrazol-4-yl)-benzoxazole?
The molecular formula of 2-(1H-Pyrazol-4-yl)-benzoxazole is C10H7N3O.
What is the molecular weight of 2-(1H-Pyrazol-4-yl)-benzoxazole?
The molecular weight of 2-(1H-Pyrazol-4-yl)-benzoxazole is 185.06 g/mol.
Where can I buy 2-(1H-Pyrazol-4-yl)-benzoxazole?
You can request a quote for 2-(1H-Pyrazol-4-yl)-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Pyrazol-4-yl)-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Pyrazol-4-yl)-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.