1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate
TL;DR: 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate (CAS 7472-04-0) is a chemical compound with molecular formula C13H16N2O8 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dimethoxy-2-methylpropan-2-yl) 3,5-dinitrobenzoate
Also Known As: 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate, (1,1-dimethoxy-2-methylpropan-2-yl) 3,5-dinitrobenzoate
| Molecular Formula | C13H16N2O8 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.09067 |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 7472-04-0 |
|---|---|
| SMILES | CC(C)(C(OC)OC)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AMNFAFCWOFXWHY-UHFFFAOYSA-N |
Product Overview
1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate (CAS 7472-04-0), with molecular formula C13H16N2O8 and molecular weight 328.09 g/mol. IUPAC: (1,1-dimethoxy-2-methylpropan-2-yl) 3,5-dinitrobenzoate.
Chemical Property Profile of 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate
Property Insights of 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 8 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 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate?
The CAS number of 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate is 7472-04-0.
What is the molecular formula of 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate?
The molecular formula of 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate is C13H16N2O8.
What is the molecular weight of 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate?
The molecular weight of 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate is 328.09 g/mol.
Where can I buy 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate?
You can request a quote for 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethoxy-2-methylpropan-2-yl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.