5-溴-5-硝基-1,3-二噁烷
TL;DR: 5-溴-5-硝基-1,3-二噁烷 (CAS 30007-47-7) is a chemical compound with molecular formula C4H6BrNO4 and molecular weight 210.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-溴-5-硝基-1,3-二噁烷
5-bromo-5-nitro-1,3-dioxane
Also Known As: 5-Bromo-5-nitro-1,3-dioxane, Bronidox, 1,3-Dioxane, 5-bromo-5-nitro-, m-Dioxane, 5-Bromo-5-nitro-m-dioxane
| Molecular Formula | C4H6BrNO4 |
|---|---|
| Molecular Weight | 210.95 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.94801 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 30007-47-7 |
|---|---|
| SMILES | C1C(COCO1)([N+](=O)[O-])Br |
| InChIKey | XVBRCOKDZVQYAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-溴-5-硝基-1,3-二噁烷 (CAS 30007-47-7), with molecular formula C4H6BrNO4 and molecular weight 210.95 g/mol. IUPAC: 5-bromo-5-nitro-1,3-dioxane.
Chemical Property Profile of 5-溴-5-硝基-1,3-二噁烷
Property Insights of 5-溴-5-硝基-1,3-二噁烷
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-溴-5-硝基-1,3-二噁烷. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-溴-5-硝基-1,3-二噁烷. Following Lipinski's Rule of Five, 5-溴-5-硝基-1,3-二噁烷 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-溴-5-硝基-1,3-二噁烷?
The CAS number of 5-溴-5-硝基-1,3-二噁烷 is 30007-47-7.
What is the molecular formula of 5-溴-5-硝基-1,3-二噁烷?
The molecular formula of 5-溴-5-硝基-1,3-二噁烷 is C4H6BrNO4.
What is the molecular weight of 5-溴-5-硝基-1,3-二噁烷?
The molecular weight of 5-溴-5-硝基-1,3-二噁烷 is 210.95 g/mol.
Where can I buy 5-溴-5-硝基-1,3-二噁烷?
You can request a quote for 5-溴-5-硝基-1,3-二噁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-溴-5-硝基-1,3-二噁烷?
Yes, KEHONG BIO provides custom synthesis services for 5-溴-5-硝基-1,3-二噁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.