5-Methyl-2,1,3-benzoxadiazole
TL;DR: 5-Methyl-2,1,3-benzoxadiazole (CAS 205442-89-3) is a chemical compound with molecular formula C7H6N2O and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2,1,3-benzoxadiazole
Also Known As: 5-Methylbenzofurazan, 5-Methyl-2,1,3-benzoxadiazole, 5-methylbenzo[c][1,2,5]oxadiazole, 2,1,3-Benzoxadiazole, 5-methyl-, 5-methylbenzo[c[1,2,5oxadiazole
| Molecular Formula | C7H6N2O |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.04802 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 205442-89-3 |
|---|---|
| SMILES | CC1=CC2=NON=C2C=C1 |
| InChIKey | RRZFDFYIDRCBCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-2,1,3-benzoxadiazole (CAS 205442-89-3), with molecular formula C7H6N2O and molecular weight 134.05 g/mol. IUPAC: 5-methyl-2,1,3-benzoxadiazole.
Chemical Property Profile of 5-Methyl-2,1,3-benzoxadiazole
Property Insights of 5-Methyl-2,1,3-benzoxadiazole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2,1,3-benzoxadiazole. With a topological polar surface area (TPSA) of 38.9 Ų, 5-Methyl-2,1,3-benzoxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2,1,3-benzoxadiazole 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 5-Methyl-2,1,3-benzoxadiazole?
The CAS number of 5-Methyl-2,1,3-benzoxadiazole is 205442-89-3.
What is the molecular formula of 5-Methyl-2,1,3-benzoxadiazole?
The molecular formula of 5-Methyl-2,1,3-benzoxadiazole is C7H6N2O.
What is the molecular weight of 5-Methyl-2,1,3-benzoxadiazole?
The molecular weight of 5-Methyl-2,1,3-benzoxadiazole is 134.05 g/mol.
Where can I buy 5-Methyl-2,1,3-benzoxadiazole?
You can request a quote for 5-Methyl-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.