N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide
TL;DR: N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide (CAS 81864-47-3) is a chemical compound with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-nitro-1,3-benzodioxol-5-yl)acetamide
Also Known As: N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide, N-(6-Nitrobenzo[d][1,3]dioxol-5-yl)acetamide, nitrobenzodioxolylacetamide, N-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide, 0117AF
| Molecular Formula | C9H8N2O5 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.04332 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 81864-47-3 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1[N+](=O)[O-])OCO2 |
| InChIKey | JVGRDSBPPKBVBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide (CAS 81864-47-3), with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol. IUPAC: N-(6-nitro-1,3-benzodioxol-5-yl)acetamide.
Chemical Property Profile of N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide
Property Insights of N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide. Following Lipinski's Rule of Five, N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide has 1 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 N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide?
The CAS number of N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide is 81864-47-3.
What is the molecular formula of N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide?
The molecular formula of N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide is C9H8N2O5.
What is the molecular weight of N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide?
The molecular weight of N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide is 224.04 g/mol.
Where can I buy N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide?
You can request a quote for N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.