5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine
TL;DR: 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine (CAS 60458-85-7) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine
Also Known As: RRCXRLKYMHDLAB-UHFFFAOYSA-, 5-methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine, 5-methoxy-8-nitro-2,3-dihydrobenzo[b][1,4]dioxine, InChI=1/C9H9NO5/c1-13-7-3-2-6(10(11)12)8-9(7)15-5-4-14-8/h2-3H,4-5H2,1H3
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 1.3746 |
| Topological Polar Surface Area | 70.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 403.73434 |
Chemical Identifiers
| CAS Number | 60458-85-7 |
|---|---|
| SMILES | COC1=C2C(=C(C=C1)[N+](=O)[O-])OCCO2 |
Product Overview
5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine (CAS 60458-85-7), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: 5-methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine.
Chemical Property Profile of 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine
Property Insights of 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine
The XLogP value of 1.3746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine. The TPSA of 70.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine. Following Lipinski's Rule of Five, 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine has 0 hydrogen bond donor(s) and 5 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-8-nitro-2,3-dihydro-1,4-benzodioxine?
The CAS number of 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine is 60458-85-7.
What is the molecular formula of 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine?
The molecular formula of 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine is C9H9NO5.
What is the molecular weight of 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine?
The molecular weight of 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine is 211.05 g/mol.
Where can I buy 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine?
You can request a quote for 5-Methoxy-8-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 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-8-nitro-2,3-dihydro-1,4-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.