2-Isoxazol-4-ylbenzoxazole
TL;DR: 2-Isoxazol-4-ylbenzoxazole (CAS 39116-30-8) is a chemical compound with molecular formula C10H6N2O2 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2-oxazol-4-yl)-1,3-benzoxazole
Also Known As: MixCom1_000307, Peakdale1_002969, 2-isoxazol-4-ylbenzoxazole, Benzoxazole, 2-(4-isoxazolyl)-, 2-(4-isoxazolyl)-1,3-benzoxazole
| Molecular Formula | C10H6N2O2 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 2.4828 |
| Topological Polar Surface Area | 52.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.04292 |
| Heavy Atoms | 14 |
| Complexity | 521.2835 |
Chemical Identifiers
| CAS Number | 39116-30-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CON=C3 |
Product Overview
2-Isoxazol-4-ylbenzoxazole (CAS 39116-30-8), with molecular formula C10H6N2O2 and molecular weight 186.04 g/mol. IUPAC: 2-(1,2-oxazol-4-yl)-1,3-benzoxazole.
Chemical Property Profile of 2-Isoxazol-4-ylbenzoxazole
Property Insights of 2-Isoxazol-4-ylbenzoxazole
The XLogP value of 2.4828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isoxazol-4-ylbenzoxazole. With a topological polar surface area (TPSA) of 52.06 Ų, 2-Isoxazol-4-ylbenzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isoxazol-4-ylbenzoxazole 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 2-Isoxazol-4-ylbenzoxazole?
The CAS number of 2-Isoxazol-4-ylbenzoxazole is 39116-30-8.
What is the molecular formula of 2-Isoxazol-4-ylbenzoxazole?
The molecular formula of 2-Isoxazol-4-ylbenzoxazole is C10H6N2O2.
What is the molecular weight of 2-Isoxazol-4-ylbenzoxazole?
The molecular weight of 2-Isoxazol-4-ylbenzoxazole is 186.04 g/mol.
Where can I buy 2-Isoxazol-4-ylbenzoxazole?
You can request a quote for 2-Isoxazol-4-ylbenzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isoxazol-4-ylbenzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Isoxazol-4-ylbenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.