6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine
TL;DR: 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine (CAS 59820-92-7) is a chemical compound with molecular formula C8H6BrNO4 and molecular weight 258.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-7-nitro-2,3-dihydro-1,4-benzodioxine
Also Known As: 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine, 6-BROMO-7-NITROBENZO(1,4)DIOXAN, 6-bromo-7-nitro-2,3-dihydrobenzo[b][1,4]dioxine, 6-Bromo-7-nitro-1,4-benzodioxane, AKOS BBS-00001437
| Molecular Formula | C8H6BrNO4 |
|---|---|
| Molecular Weight | 258.95 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.94803 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 59820-92-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=C(C(=C2)Br)[N+](=O)[O-] |
| InChIKey | PBFAMONJVJBDQV-UHFFFAOYSA-N |
Product Overview
6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine (CAS 59820-92-7), with molecular formula C8H6BrNO4 and molecular weight 258.95 g/mol. IUPAC: 6-bromo-7-nitro-2,3-dihydro-1,4-benzodioxine.
Chemical Property Profile of 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine
Property Insights of 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine. Following Lipinski's Rule of Five, 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine 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-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine?
The CAS number of 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine is 59820-92-7.
What is the molecular formula of 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine?
The molecular formula of 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine is C8H6BrNO4.
What is the molecular weight of 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine?
The molecular weight of 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine is 258.95 g/mol.
Where can I buy 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine?
You can request a quote for 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-7-nitro-2,3-dihydro-1,4-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.