2,5-Dimethylbenzoxazole
TL;DR: 2,5-Dimethylbenzoxazole (CAS 5676-58-4) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1,3-benzoxazole
Also Known As: 2,5-Dimethylbenzoxazole, 2,5-Dimethylbenzo[d]oxazole, 2,5-Dimethyl-1,3-benzoxazole, BENZOXAZOLE, 2,5-DIMETHYL-, 2,5-dimethyl-benzoxazole
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 5676-58-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C |
| InChIKey | XVQGFGKAPKEUFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethylbenzoxazole (CAS 5676-58-4), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2,5-dimethyl-1,3-benzoxazole.
Chemical Property Profile of 2,5-Dimethylbenzoxazole
Property Insights of 2,5-Dimethylbenzoxazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethylbenzoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 2,5-Dimethylbenzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethylbenzoxazole 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 2,5-Dimethylbenzoxazole?
The CAS number of 2,5-Dimethylbenzoxazole is 5676-58-4.
What is the molecular formula of 2,5-Dimethylbenzoxazole?
The molecular formula of 2,5-Dimethylbenzoxazole is C9H9NO.
What is the molecular weight of 2,5-Dimethylbenzoxazole?
The molecular weight of 2,5-Dimethylbenzoxazole is 147.07 g/mol.
Where can I buy 2,5-Dimethylbenzoxazole?
You can request a quote for 2,5-Dimethylbenzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethylbenzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethylbenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.