2-(Pyridin-4-yl)-1,3-benzoxazole
TL;DR: 2-(Pyridin-4-yl)-1,3-benzoxazole (CAS 2295-47-8) is a chemical compound with molecular formula C12H8N2O and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-4-yl-1,3-benzoxazole
Also Known As: 2-(4-Pyridyl)benzoxazole, 2-(4-pyridinyl)benzoxazole, BENZOXAZOLE, 2-(4-PYRIDYL)-, 2-pyridin-4-yl-1,3-benzoxazole, 2-(pyridin-4-yl)-1,3-benzoxazole
| Molecular Formula | C12H8N2O |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.06366 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 2295-47-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC=NC=C3 |
| InChIKey | NSTYHODPDRPTRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Pyridin-4-yl)-1,3-benzoxazole (CAS 2295-47-8), with molecular formula C12H8N2O and molecular weight 196.06 g/mol. IUPAC: 2-pyridin-4-yl-1,3-benzoxazole.
Chemical Property Profile of 2-(Pyridin-4-yl)-1,3-benzoxazole
Property Insights of 2-(Pyridin-4-yl)-1,3-benzoxazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyridin-4-yl)-1,3-benzoxazole. With a topological polar surface area (TPSA) of 38.9 Ų, 2-(Pyridin-4-yl)-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyridin-4-yl)-1,3-benzoxazole 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 2-(Pyridin-4-yl)-1,3-benzoxazole?
The CAS number of 2-(Pyridin-4-yl)-1,3-benzoxazole is 2295-47-8.
What is the molecular formula of 2-(Pyridin-4-yl)-1,3-benzoxazole?
The molecular formula of 2-(Pyridin-4-yl)-1,3-benzoxazole is C12H8N2O.
What is the molecular weight of 2-(Pyridin-4-yl)-1,3-benzoxazole?
The molecular weight of 2-(Pyridin-4-yl)-1,3-benzoxazole is 196.06 g/mol.
Where can I buy 2-(Pyridin-4-yl)-1,3-benzoxazole?
You can request a quote for 2-(Pyridin-4-yl)-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pyridin-4-yl)-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyridin-4-yl)-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.