5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine
TL;DR: 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine (CAS 273217-46-2) is a chemical compound with molecular formula C9H7N3O9 and molecular weight 301.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine
Also Known As: 5-methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine, 8-methoxy-5,6,7-trinitro-2H,3H-benzo[e]1,4-dioxane, 5-methoxy-2,3,4-trinitro-7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene
| Molecular Formula | C9H7N3O9 |
|---|---|
| Molecular Weight | 301.02 g/mol |
| LogP | 1.191 |
| Topological Polar Surface Area | 157.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.01822 |
| Heavy Atoms | 21 |
| Complexity | 621.3489 |
Chemical Identifiers
| CAS Number | 273217-46-2 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1OCCO2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine (CAS 273217-46-2), with molecular formula C9H7N3O9 and molecular weight 301.02 g/mol. IUPAC: 5-methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine.
Chemical Property Profile of 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine
Property Insights of 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine
The XLogP value of 1.191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine. The TPSA of 157.11 Ų indicates high polarity, suggesting 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine has 0 hydrogen bond donor(s) and 9 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-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine?
The CAS number of 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine is 273217-46-2.
What is the molecular formula of 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine?
The molecular formula of 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine is C9H7N3O9.
What is the molecular weight of 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine?
The molecular weight of 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine is 301.02 g/mol.
Where can I buy 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine?
You can request a quote for 5-Methoxy-6,7,8-trinitro-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 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-6,7,8-trinitro-2,3-dihydro-1,4-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.