2-Isobutylbenzoxazole
TL;DR: 2-Isobutylbenzoxazole (CAS 6797-50-8) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropyl)-1,3-benzoxazole
Also Known As: 2-Isobutylbenzoxazole, 2-isobutyl-1,3-benzoxazole, 2-Isobutylbenzo[d]oxazole, 2-(2-methylpropyl)-1,3-benzoxazole, 2-(2-Methylpropyl)benzoxazole
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 6797-50-8 |
|---|---|
| SMILES | CC(C)CC1=NC2=CC=CC=C2O1 |
| InChIKey | ZORIKMFUXMCILS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isobutylbenzoxazole (CAS 6797-50-8), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 2-(2-methylpropyl)-1,3-benzoxazole.
Chemical Property Profile of 2-Isobutylbenzoxazole
Property Insights of 2-Isobutylbenzoxazole
The XLogP value of 3.4 indicates that 2-Isobutylbenzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Isobutylbenzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isobutylbenzoxazole has 0 hydrogen bond donor(s) and 2 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-Isobutylbenzoxazole?
The CAS number of 2-Isobutylbenzoxazole is 6797-50-8.
What is the molecular formula of 2-Isobutylbenzoxazole?
The molecular formula of 2-Isobutylbenzoxazole is C11H13NO.
What is the molecular weight of 2-Isobutylbenzoxazole?
The molecular weight of 2-Isobutylbenzoxazole is 175.10 g/mol.
Where can I buy 2-Isobutylbenzoxazole?
You can request a quote for 2-Isobutylbenzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isobutylbenzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutylbenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.