5-Nitro-2-phenyl-1,3-benzodioxole
TL;DR: 5-Nitro-2-phenyl-1,3-benzodioxole (CAS 65766-67-8) is a chemical compound with molecular formula C13H9NO4 and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-phenyl-1,3-benzodioxole
Also Known As: 5-nitro-2-phenyl-1,3-benzodioxole, 5-Nitro-2-phenylbenzo[d][1,3]dioxole, 1,3-Benzodioxole,5-nitro-2-phenyl, 5-nitro-2-phenyl-1,3-benzodioxolan, 1,3-Benzodioxole,5-nitro-2-phenyl-
| Molecular Formula | C13H9NO4 |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.05316 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 65766-67-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2OC3=C(O2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | QFNFYACVAFGVLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2-phenyl-1,3-benzodioxole (CAS 65766-67-8), with molecular formula C13H9NO4 and molecular weight 243.05 g/mol. IUPAC: 5-nitro-2-phenyl-1,3-benzodioxole.
Chemical Property Profile of 5-Nitro-2-phenyl-1,3-benzodioxole
Property Insights of 5-Nitro-2-phenyl-1,3-benzodioxole
The XLogP value of 3.1 indicates that 5-Nitro-2-phenyl-1,3-benzodioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-phenyl-1,3-benzodioxole. Following Lipinski's Rule of Five, 5-Nitro-2-phenyl-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-Nitro-2-phenyl-1,3-benzodioxole?
The CAS number of 5-Nitro-2-phenyl-1,3-benzodioxole is 65766-67-8.
What is the molecular formula of 5-Nitro-2-phenyl-1,3-benzodioxole?
The molecular formula of 5-Nitro-2-phenyl-1,3-benzodioxole is C13H9NO4.
What is the molecular weight of 5-Nitro-2-phenyl-1,3-benzodioxole?
The molecular weight of 5-Nitro-2-phenyl-1,3-benzodioxole is 243.05 g/mol.
Where can I buy 5-Nitro-2-phenyl-1,3-benzodioxole?
You can request a quote for 5-Nitro-2-phenyl-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-Nitro-2-phenyl-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-phenyl-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.