2,2-Dinitropropyl 4-methyl-4-nitropentanoate
TL;DR: 2,2-Dinitropropyl 4-methyl-4-nitropentanoate (CAS 91492-36-3) is a chemical compound with molecular formula C9H15N3O8 and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dinitropropyl 4-methyl-4-nitropentanoate
Also Known As: 2,2-dinitropropyl 4-methyl-4-nitropentanoate, 5-Hydroxymethyl-N-phenyl-2-1H-pyridone, Methyl Ether
| Molecular Formula | C9H15N3O8 |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.0859 |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 91492-36-3 |
|---|---|
| SMILES | CC(C)(CCC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QBXLDUJAJITEMB-UHFFFAOYSA-N |
Product Overview
2,2-Dinitropropyl 4-methyl-4-nitropentanoate (CAS 91492-36-3), with molecular formula C9H15N3O8 and molecular weight 293.09 g/mol. IUPAC: 2,2-dinitropropyl 4-methyl-4-nitropentanoate.
Chemical Property Profile of 2,2-Dinitropropyl 4-methyl-4-nitropentanoate
Property Insights of 2,2-Dinitropropyl 4-methyl-4-nitropentanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dinitropropyl 4-methyl-4-nitropentanoate. The TPSA of 164.0 Ų indicates high polarity, suggesting 2,2-Dinitropropyl 4-methyl-4-nitropentanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2-Dinitropropyl 4-methyl-4-nitropentanoate 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 2,2-Dinitropropyl 4-methyl-4-nitropentanoate?
The CAS number of 2,2-Dinitropropyl 4-methyl-4-nitropentanoate is 91492-36-3.
What is the molecular formula of 2,2-Dinitropropyl 4-methyl-4-nitropentanoate?
The molecular formula of 2,2-Dinitropropyl 4-methyl-4-nitropentanoate is C9H15N3O8.
What is the molecular weight of 2,2-Dinitropropyl 4-methyl-4-nitropentanoate?
The molecular weight of 2,2-Dinitropropyl 4-methyl-4-nitropentanoate is 293.09 g/mol.
Where can I buy 2,2-Dinitropropyl 4-methyl-4-nitropentanoate?
You can request a quote for 2,2-Dinitropropyl 4-methyl-4-nitropentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dinitropropyl 4-methyl-4-nitropentanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dinitropropyl 4-methyl-4-nitropentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.