7-Oxo-4,5,6,7-tetrahydrobenzofuroxan
TL;DR: 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan (CAS 40345-51-5) is a chemical compound with molecular formula C6H6N2O3 and molecular weight 154.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-3-ium-4-one
Also Known As: 7-oxo-4,5,6,7-tetrahydrobenzofuroxan, 3-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-3-ium-4-one, 7-oxido-8-oxa-9-aza-7-azoniabicyclo[4.3.0]nona-6,9-dien-5-one
| Molecular Formula | C6H6N2O3 |
|---|---|
| Molecular Weight | 154.04 g/mol |
| LogP | -0.173 |
| Topological Polar Surface Area | 70.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.03784 |
| Heavy Atoms | 11 |
| Complexity | 304.7761 |
Chemical Identifiers
| CAS Number | 40345-51-5 |
|---|---|
| SMILES | C1CC2=NO[N+](=C2C(=O)C1)[O-] |
Product Overview
7-Oxo-4,5,6,7-tetrahydrobenzofuroxan (CAS 40345-51-5), with molecular formula C6H6N2O3 and molecular weight 154.04 g/mol. IUPAC: 3-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-3-ium-4-one.
Chemical Property Profile of 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan
Property Insights of 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan
The XLogP value of -0.173 indicates that 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan. Following Lipinski's Rule of Five, 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan 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 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan?
The CAS number of 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan is 40345-51-5.
What is the molecular formula of 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan?
The molecular formula of 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan is C6H6N2O3.
What is the molecular weight of 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan?
The molecular weight of 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan is 154.04 g/mol.
Where can I buy 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan?
You can request a quote for 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.