3-Methyl-2,1-benzoxazole
TL;DR: 3-Methyl-2,1-benzoxazole (CAS 41515-28-0) is a chemical compound with molecular formula C8H7NO and molecular weight 133.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,1-benzoxazole
Also Known As: 3-Methylbenzo[c]isoxazole, 3-methyl-2,1-benzoxazole, 3-methylanthranil, 3-methyl-2,1-benzisoxazole, anthranil, 3-methyl-
| Molecular Formula | C8H7NO |
|---|---|
| Molecular Weight | 133.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 133.05276 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 41515-28-0 |
|---|---|
| SMILES | CC1=C2C=CC=CC2=NO1 |
| InChIKey | ZOQDGMRYMRFKRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2,1-benzoxazole (CAS 41515-28-0), with molecular formula C8H7NO and molecular weight 133.05 g/mol. IUPAC: 3-methyl-2,1-benzoxazole.
Chemical Property Profile of 3-Methyl-2,1-benzoxazole
Property Insights of 3-Methyl-2,1-benzoxazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2,1-benzoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Methyl-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2,1-benzoxazole 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 3-Methyl-2,1-benzoxazole?
The CAS number of 3-Methyl-2,1-benzoxazole is 41515-28-0.
What is the molecular formula of 3-Methyl-2,1-benzoxazole?
The molecular formula of 3-Methyl-2,1-benzoxazole is C8H7NO.
What is the molecular weight of 3-Methyl-2,1-benzoxazole?
The molecular weight of 3-Methyl-2,1-benzoxazole is 133.05 g/mol.
Where can I buy 3-Methyl-2,1-benzoxazole?
You can request a quote for 3-Methyl-2,1-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.