2-Methyl-2-nitropropane-1,3-diyl diacetate
TL;DR: 2-Methyl-2-nitropropane-1,3-diyl diacetate (CAS 956-65-0) is a chemical compound with molecular formula C8H13NO6 and molecular weight 219.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxy-2-methyl-2-nitropropyl) acetate
Also Known As: 2-methyl-2-nitropropane-1,3-diyl diacetate, (3-acetyloxy-2-methyl-2-nitropropyl) acetate, 1,3-Propanediol,2-methyl-2-nitro-, 1,3-diacetate
| Molecular Formula | C8H13NO6 |
|---|---|
| Molecular Weight | 219.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 219.07428 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 956-65-0 |
|---|---|
| SMILES | CC(=O)OCC(C)(COC(=O)C)[N+](=O)[O-] |
| InChIKey | DSPDSDLYIAUAQC-UHFFFAOYSA-N |
Product Overview
2-Methyl-2-nitropropane-1,3-diyl diacetate (CAS 956-65-0), with molecular formula C8H13NO6 and molecular weight 219.07 g/mol. IUPAC: (3-acetyloxy-2-methyl-2-nitropropyl) acetate.
Chemical Property Profile of 2-Methyl-2-nitropropane-1,3-diyl diacetate
Property Insights of 2-Methyl-2-nitropropane-1,3-diyl diacetate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-nitropropane-1,3-diyl diacetate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-2-nitropropane-1,3-diyl diacetate. Following Lipinski's Rule of Five, 2-Methyl-2-nitropropane-1,3-diyl diacetate 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 2-Methyl-2-nitropropane-1,3-diyl diacetate?
The CAS number of 2-Methyl-2-nitropropane-1,3-diyl diacetate is 956-65-0.
What is the molecular formula of 2-Methyl-2-nitropropane-1,3-diyl diacetate?
The molecular formula of 2-Methyl-2-nitropropane-1,3-diyl diacetate is C8H13NO6.
What is the molecular weight of 2-Methyl-2-nitropropane-1,3-diyl diacetate?
The molecular weight of 2-Methyl-2-nitropropane-1,3-diyl diacetate is 219.07 g/mol.
Where can I buy 2-Methyl-2-nitropropane-1,3-diyl diacetate?
You can request a quote for 2-Methyl-2-nitropropane-1,3-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-nitropropane-1,3-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-nitropropane-1,3-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.