(6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate
TL;DR: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate (CAS 127679-89-4) is a chemical compound with molecular formula C11H11NO6 and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate
Also Known As: J2.607.577G, 6-Nitro-8-(acetoxymethyl)-4H-1,3-benzodioxin, (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate, (6-nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl acetate, (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl acetate
| Molecular Formula | C11H11NO6 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 1.5244 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.05864 |
| Heavy Atoms | 18 |
| Complexity | 498.55197 |
Chemical Identifiers
| CAS Number | 127679-89-4 |
|---|---|
| SMILES | CC(=O)OCC1=CC(=CC2=C1OCOC2)[N+](=O)[O-] |
Product Overview
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate (CAS 127679-89-4), with molecular formula C11H11NO6 and molecular weight 253.06 g/mol. IUPAC: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate.
Chemical Property Profile of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate
Property Insights of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate
The XLogP value of 1.5244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate. Following Lipinski's Rule of Five, (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 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-4H-1,3-benzodioxin-8-yl)methyl acetate?
The CAS number of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate is 127679-89-4.
What is the molecular formula of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate?
The molecular formula of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate is C11H11NO6.
What is the molecular weight of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate?
The molecular weight of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate is 253.06 g/mol.
Where can I buy (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate?
You can request a quote for (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 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-4H-1,3-benzodioxin-8-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.