1,3-Benzodioxole, 5-nitro-
TL;DR: 1,3-Benzodioxole, 5-nitro- (CAS 2620-44-2) is a chemical compound with molecular formula C7H5NO4 and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1,3-benzodioxole
Also Known As: 5-Nitro-1,3-benzodioxole, 5-nitrobenzo[d][1,3]dioxole, 3,4-Methylenedioxynitrobenzene, 1,3-Benzodioxole, 5-nitro-, 1,2-(Methylenedioxy)-4-nitrobenzene
| Molecular Formula | C7H5NO4 |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.02185 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 2620-44-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | SNWQAKNKGGOVMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole, 5-nitro- (CAS 2620-44-2), with molecular formula C7H5NO4 and molecular weight 167.02 g/mol. IUPAC: 5-nitro-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 5-nitro-
Property Insights of 1,3-Benzodioxole, 5-nitro-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-nitro-. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole, 5-nitro-. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-nitro- 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 1,3-Benzodioxole, 5-nitro-?
The CAS number of 1,3-Benzodioxole, 5-nitro- is 2620-44-2.
What is the molecular formula of 1,3-Benzodioxole, 5-nitro-?
The molecular formula of 1,3-Benzodioxole, 5-nitro- is C7H5NO4.
What is the molecular weight of 1,3-Benzodioxole, 5-nitro-?
The molecular weight of 1,3-Benzodioxole, 5-nitro- is 167.02 g/mol.
Where can I buy 1,3-Benzodioxole, 5-nitro-?
You can request a quote for 1,3-Benzodioxole, 5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.