6-Nitro-1,3-benzodioxane
TL;DR: 6-Nitro-1,3-benzodioxane (CAS 6363-03-7) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-4H-1,3-benzodioxine
Also Known As: 6-nitro-4H-1,3-benzodioxine, 6-Nitro-1,3-benzodioxane, 6-Nitro-1,3-benzodioxan, 4h-1,3-benzodioxin, 6-nitro-, 6-Nitro-4H-1,3-benzodioxin
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 6363-03-7 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)[N+](=O)[O-])OCO1 |
| InChIKey | RCVQOAMNZPWAIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-1,3-benzodioxane (CAS 6363-03-7), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 6-nitro-4H-1,3-benzodioxine.
Chemical Property Profile of 6-Nitro-1,3-benzodioxane
Property Insights of 6-Nitro-1,3-benzodioxane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-1,3-benzodioxane. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-1,3-benzodioxane. Following Lipinski's Rule of Five, 6-Nitro-1,3-benzodioxane 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 6-Nitro-1,3-benzodioxane?
The CAS number of 6-Nitro-1,3-benzodioxane is 6363-03-7.
What is the molecular formula of 6-Nitro-1,3-benzodioxane?
The molecular formula of 6-Nitro-1,3-benzodioxane is C8H7NO4.
What is the molecular weight of 6-Nitro-1,3-benzodioxane?
The molecular weight of 6-Nitro-1,3-benzodioxane is 181.04 g/mol.
Where can I buy 6-Nitro-1,3-benzodioxane?
You can request a quote for 6-Nitro-1,3-benzodioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-1,3-benzodioxane?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-1,3-benzodioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.