5-Bromo-6-nitro-1,3-benzodioxole
TL;DR: 5-Bromo-6-nitro-1,3-benzodioxole (CAS 7748-58-5) is a chemical compound with molecular formula C7H4BrNO4 and molecular weight 244.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-6-nitro-1,3-benzodioxole
Also Known As: 5-bromo-6-nitro-1,3-benzodioxole, 5-Bromo-6-nitrobenzo[d][1,3]dioxole, 5-BROMO-6-NITROBENZO(1,3)DIOXOLE, 5-bromo-6-nitro-2H-1,3-benzodioxole, 1,3-Benzodioxole, 5-bromo-6-nitro-
| Molecular Formula | C7H4BrNO4 |
|---|---|
| Molecular Weight | 244.93 g/mol |
| LogP | 2.086 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.93237 |
| Heavy Atoms | 13 |
| Complexity | 379.00046 |
Chemical Identifiers
| CAS Number | 7748-58-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])Br |
Product Overview
5-Bromo-6-nitro-1,3-benzodioxole (CAS 7748-58-5), with molecular formula C7H4BrNO4 and molecular weight 244.93 g/mol. IUPAC: 5-bromo-6-nitro-1,3-benzodioxole.
Chemical Property Profile of 5-Bromo-6-nitro-1,3-benzodioxole
Property Insights of 5-Bromo-6-nitro-1,3-benzodioxole
The XLogP value of 2.086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-6-nitro-1,3-benzodioxole. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-6-nitro-1,3-benzodioxole. Following Lipinski's Rule of Five, 5-Bromo-6-nitro-1,3-benzodioxole 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-Bromo-6-nitro-1,3-benzodioxole?
The CAS number of 5-Bromo-6-nitro-1,3-benzodioxole is 7748-58-5.
What is the molecular formula of 5-Bromo-6-nitro-1,3-benzodioxole?
The molecular formula of 5-Bromo-6-nitro-1,3-benzodioxole is C7H4BrNO4.
What is the molecular weight of 5-Bromo-6-nitro-1,3-benzodioxole?
The molecular weight of 5-Bromo-6-nitro-1,3-benzodioxole is 244.93 g/mol.
Where can I buy 5-Bromo-6-nitro-1,3-benzodioxole?
You can request a quote for 5-Bromo-6-nitro-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-6-nitro-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-nitro-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.