2,2-Dimethyl-5-nitro-1,3-benzodioxole
TL;DR: 2,2-Dimethyl-5-nitro-1,3-benzodioxole (CAS 6272-25-9) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-nitro-1,3-benzodioxole
Also Known As: 2,2-dimethyl-5-nitro-1,3-benzodioxole, 2,2-dimethyl-5-nitro-2H-1,3-benzodioxole, 2,2-Dimethyl-5-nitrobenzo[d][1,3]dioxole, 2,2-Dimethyl-5-nitro-benzo[1,3]dioxole, 2,2-Dimethyl-5-nitro-1,3-dioxaindane
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 6272-25-9 |
|---|---|
| SMILES | CC1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])C |
| InChIKey | XCEHELWIDYNWCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-5-nitro-1,3-benzodioxole (CAS 6272-25-9), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 2,2-dimethyl-5-nitro-1,3-benzodioxole.
Chemical Property Profile of 2,2-Dimethyl-5-nitro-1,3-benzodioxole
Property Insights of 2,2-Dimethyl-5-nitro-1,3-benzodioxole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-nitro-1,3-benzodioxole. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5-nitro-1,3-benzodioxole. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-nitro-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 2,2-Dimethyl-5-nitro-1,3-benzodioxole?
The CAS number of 2,2-Dimethyl-5-nitro-1,3-benzodioxole is 6272-25-9.
What is the molecular formula of 2,2-Dimethyl-5-nitro-1,3-benzodioxole?
The molecular formula of 2,2-Dimethyl-5-nitro-1,3-benzodioxole is C9H9NO4.
What is the molecular weight of 2,2-Dimethyl-5-nitro-1,3-benzodioxole?
The molecular weight of 2,2-Dimethyl-5-nitro-1,3-benzodioxole is 195.05 g/mol.
Where can I buy 2,2-Dimethyl-5-nitro-1,3-benzodioxole?
You can request a quote for 2,2-Dimethyl-5-nitro-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 2,2-Dimethyl-5-nitro-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5-nitro-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.