(2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate
TL;DR: (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate (CAS 7472-09-5) is a chemical compound with molecular formula C12H14N2O8 and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate
Also Known As: (2-hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate, 2-Hydroxy-1-methoxy-2-methylpropyl 3,5-dinitrobenzoate
| Molecular Formula | C12H14N2O8 |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.075 |
| Heavy Atoms | 22 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 7472-09-5 |
|---|---|
| SMILES | CC(C)(C(OC)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | JPOVQQQYXJDOBV-UHFFFAOYSA-N |
Product Overview
(2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate (CAS 7472-09-5), with molecular formula C12H14N2O8 and molecular weight 314.07 g/mol. IUPAC: (2-hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate.
Chemical Property Profile of (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate
Property Insights of (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate. The TPSA of 147.0 Ų indicates high polarity, suggesting (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate has 1 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 (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate?
The CAS number of (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate is 7472-09-5.
What is the molecular formula of (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate?
The molecular formula of (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate is C12H14N2O8.
What is the molecular weight of (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate?
The molecular weight of (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate is 314.07 g/mol.
Where can I buy (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate?
You can request a quote for (2-Hydroxy-1-methoxy-2-methylpropyl) 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 (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.