5-Methoxybenzofurazan
TL;DR: 5-Methoxybenzofurazan (CAS 4413-48-3) is a chemical compound with molecular formula C7H6N2O2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2,1,3-benzoxadiazole
Also Known As: 5-Methoxybenzofurazan, 5-Methoxy-2,1,3-benzoxadiazole, Benzofurazan, 5-methoxy-, 5-Methoxybenzofurazane, Benzofurazan,5-methoxy
| Molecular Formula | C7H6N2O2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 48.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.04292 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 4413-48-3 |
|---|---|
| SMILES | COC1=CC2=NON=C2C=C1 |
| InChIKey | VQKJLIJNBRMZJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxybenzofurazan (CAS 4413-48-3), with molecular formula C7H6N2O2 and molecular weight 150.04 g/mol. IUPAC: 5-methoxy-2,1,3-benzoxadiazole.
Chemical Property Profile of 5-Methoxybenzofurazan
Property Insights of 5-Methoxybenzofurazan
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxybenzofurazan. With a topological polar surface area (TPSA) of 48.2 Ų, 5-Methoxybenzofurazan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxybenzofurazan 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 5-Methoxybenzofurazan?
The CAS number of 5-Methoxybenzofurazan is 4413-48-3.
What is the molecular formula of 5-Methoxybenzofurazan?
The molecular formula of 5-Methoxybenzofurazan is C7H6N2O2.
What is the molecular weight of 5-Methoxybenzofurazan?
The molecular weight of 5-Methoxybenzofurazan is 150.04 g/mol.
Where can I buy 5-Methoxybenzofurazan?
You can request a quote for 5-Methoxybenzofurazan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxybenzofurazan?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxybenzofurazan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.