(2-Methyl-1-nitropropan-2-yl) acetate
TL;DR: (2-Methyl-1-nitropropan-2-yl) acetate (CAS 20867-84-9) is a chemical compound with molecular formula C6H11NO4 and molecular weight 161.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1-nitropropan-2-yl) acetate
Also Known As: Nitro-t-butyl-acetate, (2-Methyl-1-nitropropan-2-yl) acetate, Nitro-tert-butyl-acetate, 1-nitro-2-methyl-2-acetoxypropane, 1-nitro-2-methyl-2-propanol acetate
| Molecular Formula | C6H11NO4 |
|---|---|
| Molecular Weight | 161.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.0688 |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 20867-84-9 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C[N+](=O)[O-] |
| InChIKey | XSTGTOOLWVOPGJ-UHFFFAOYSA-N |
Product Overview
(2-Methyl-1-nitropropan-2-yl) acetate (CAS 20867-84-9), with molecular formula C6H11NO4 and molecular weight 161.07 g/mol. IUPAC: (2-methyl-1-nitropropan-2-yl) acetate.
Chemical Property Profile of (2-Methyl-1-nitropropan-2-yl) acetate
Property Insights of (2-Methyl-1-nitropropan-2-yl) acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-1-nitropropan-2-yl) acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Methyl-1-nitropropan-2-yl) acetate. Following Lipinski's Rule of Five, (2-Methyl-1-nitropropan-2-yl) acetate 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-Methyl-1-nitropropan-2-yl) acetate?
The CAS number of (2-Methyl-1-nitropropan-2-yl) acetate is 20867-84-9.
What is the molecular formula of (2-Methyl-1-nitropropan-2-yl) acetate?
The molecular formula of (2-Methyl-1-nitropropan-2-yl) acetate is C6H11NO4.
What is the molecular weight of (2-Methyl-1-nitropropan-2-yl) acetate?
The molecular weight of (2-Methyl-1-nitropropan-2-yl) acetate is 161.07 g/mol.
Where can I buy (2-Methyl-1-nitropropan-2-yl) acetate?
You can request a quote for (2-Methyl-1-nitropropan-2-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methyl-1-nitropropan-2-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyl-1-nitropropan-2-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.