(6-Nitro-1,3-benzodioxol-5-yl)methyl acetate
TL;DR: (6-Nitro-1,3-benzodioxol-5-yl)methyl acetate (CAS 6320-93-0) is a chemical compound with molecular formula C10H9NO6 and molecular weight 239.04 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)methyl acetate
Also Known As: methylacetate, (6-nitro-1,3-benzodioxol-5-yl)methyl acetate, KST-1A6830, (6-NITROBENZO[1,3]DIOXOL-5-YL)METHYL ACETATE, (6-NITRO-2H-1,3-BENZODIOXOL-5-YL)METHYL ACETATE
| Molecular Formula | C10H9NO6 |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.04298 |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 6320-93-0 |
|---|---|
| SMILES | CC(=O)OCC1=CC2=C(C=C1[N+](=O)[O-])OCO2 |
| InChIKey | SRYOQHSXNKSURI-UHFFFAOYSA-N |
Product Overview
(6-Nitro-1,3-benzodioxol-5-yl)methyl acetate (CAS 6320-93-0), with molecular formula C10H9NO6 and molecular weight 239.04 g/mol. IUPAC: (6-nitro-1,3-benzodioxol-5-yl)methyl acetate.
Chemical Property Profile of (6-Nitro-1,3-benzodioxol-5-yl)methyl acetate
Property Insights of (6-Nitro-1,3-benzodioxol-5-yl)methyl acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Nitro-1,3-benzodioxol-5-yl)methyl 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)methyl acetate. Following Lipinski's Rule of Five, (6-Nitro-1,3-benzodioxol-5-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-1,3-benzodioxol-5-yl)methyl acetate?
The CAS number of (6-Nitro-1,3-benzodioxol-5-yl)methyl acetate is 6320-93-0.
What is the molecular formula of (6-Nitro-1,3-benzodioxol-5-yl)methyl acetate?
The molecular formula of (6-Nitro-1,3-benzodioxol-5-yl)methyl acetate is C10H9NO6.
What is the molecular weight of (6-Nitro-1,3-benzodioxol-5-yl)methyl acetate?
The molecular weight of (6-Nitro-1,3-benzodioxol-5-yl)methyl acetate is 239.04 g/mol.
Where can I buy (6-Nitro-1,3-benzodioxol-5-yl)methyl acetate?
You can request a quote for (6-Nitro-1,3-benzodioxol-5-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-1,3-benzodioxol-5-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (6-Nitro-1,3-benzodioxol-5-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.