1,3-Benzodioxole-5,6-dione, 5-oxime
TL;DR: 1,3-Benzodioxole-5,6-dione, 5-oxime (CAS 73077-95-9) is a chemical compound with molecular formula C7H5NO4 and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitroso-1,3-benzodioxol-5-ol
Also Known As: Nitrososesamol, 6-nitroso-1,3-benzodioxol-5-ol, 3,4-methylenedioxy-6-nitrosophenol, 5-methyl-6-nitroso-1,3-benzodioxole, 6-nitroso-2H-1,3-benzodioxol-5-ol
| Molecular Formula | C7H5NO4 |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 1.5188 |
| Topological Polar Surface Area | 68.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.02185 |
| Heavy Atoms | 12 |
| Complexity | 336.4234 |
Chemical Identifiers
| CAS Number | 73077-95-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)N=O)O |
Product Overview
1,3-Benzodioxole-5,6-dione, 5-oxime (CAS 73077-95-9), with molecular formula C7H5NO4 and molecular weight 167.02 g/mol. IUPAC: 6-nitroso-1,3-benzodioxol-5-ol.
Chemical Property Profile of 1,3-Benzodioxole-5,6-dione, 5-oxime
Property Insights of 1,3-Benzodioxole-5,6-dione, 5-oxime
The XLogP value of 1.5188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5,6-dione, 5-oxime. The TPSA of 68.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5,6-dione, 5-oxime. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5,6-dione, 5-oxime has 1 hydrogen bond donor(s) and 5 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 1,3-Benzodioxole-5,6-dione, 5-oxime?
The CAS number of 1,3-Benzodioxole-5,6-dione, 5-oxime is 73077-95-9.
What is the molecular formula of 1,3-Benzodioxole-5,6-dione, 5-oxime?
The molecular formula of 1,3-Benzodioxole-5,6-dione, 5-oxime is C7H5NO4.
What is the molecular weight of 1,3-Benzodioxole-5,6-dione, 5-oxime?
The molecular weight of 1,3-Benzodioxole-5,6-dione, 5-oxime is 167.02 g/mol.
Where can I buy 1,3-Benzodioxole-5,6-dione, 5-oxime?
You can request a quote for 1,3-Benzodioxole-5,6-dione, 5-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5,6-dione, 5-oxime?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5,6-dione, 5-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.