6-Nitro-1,3-benzodioxol-5-yl acetate
TL;DR: 6-Nitro-1,3-benzodioxol-5-yl acetate (CAS 106925-96-6) is a chemical compound with molecular formula C9H7NO6 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-nitro-1,3-benzodioxol-5-yl) acetate
Also Known As: 6-nitro-1,3-benzodioxol-5-yl acetate, acetate, (6-nitro-1,3-benzodioxol-5-yl) acetate, 6-Nitrobenzo[d][1,3]dioxol-5-yl acetate, 6-NITRO-2H-1,3-BENZODIOXOL-5-YL ACETATE
| Molecular Formula | C9H7NO6 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.02734 |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 106925-96-6 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1[N+](=O)[O-])OCO2 |
| InChIKey | DECGMUJJYLXRPA-UHFFFAOYSA-N |
Product Overview
6-Nitro-1,3-benzodioxol-5-yl acetate (CAS 106925-96-6), with molecular formula C9H7NO6 and molecular weight 225.03 g/mol. IUPAC: (6-nitro-1,3-benzodioxol-5-yl) acetate.
Chemical Property Profile of 6-Nitro-1,3-benzodioxol-5-yl acetate
Property Insights of 6-Nitro-1,3-benzodioxol-5-yl acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-1,3-benzodioxol-5-yl acetate. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-1,3-benzodioxol-5-yl acetate. Following Lipinski's Rule of Five, 6-Nitro-1,3-benzodioxol-5-yl acetate has 0 hydrogen bond donor(s) and 6 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 6-Nitro-1,3-benzodioxol-5-yl acetate?
The CAS number of 6-Nitro-1,3-benzodioxol-5-yl acetate is 106925-96-6.
What is the molecular formula of 6-Nitro-1,3-benzodioxol-5-yl acetate?
The molecular formula of 6-Nitro-1,3-benzodioxol-5-yl acetate is C9H7NO6.
What is the molecular weight of 6-Nitro-1,3-benzodioxol-5-yl acetate?
The molecular weight of 6-Nitro-1,3-benzodioxol-5-yl acetate is 225.03 g/mol.
Where can I buy 6-Nitro-1,3-benzodioxol-5-yl acetate?
You can request a quote for 6-Nitro-1,3-benzodioxol-5-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-1,3-benzodioxol-5-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-1,3-benzodioxol-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.