2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate
TL;DR: 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate (CAS 64050-61-9) is a chemical compound with molecular formula C16H33N2O8P and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl bis(2-methyl-2-nitropropyl) phosphate
Also Known As: Bis(2-nitroisobutyl)-2-ethylhexyl phosphate, 2-ethylhexyl bis(2-methyl-2-nitropropyl) phosphate, Phosphoric acid, bis(2-methyl-2-nitropropyl) 2-ethylhexyl ester, Bis(2-methyl-2-nitropropyl)(2-ethylhexyl) =phosphate, bis(2-methyl-2-nitropropyl)(2-ethylhexyl) phosphate
| Molecular Formula | C16H33N2O8P |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 412.19745 |
| Heavy Atoms | 27 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 64050-61-9 |
|---|---|
| SMILES | CCCCC(CC)COP(=O)(OCC(C)(C)[N+](=O)[O-])OCC(C)(C)[N+](=O)[O-] |
| InChIKey | TWAYNOZNTQWTOK-UHFFFAOYSA-N |
Product Overview
2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate (CAS 64050-61-9), with molecular formula C16H33N2O8P and molecular weight 412.20 g/mol. IUPAC: 2-ethylhexyl bis(2-methyl-2-nitropropyl) phosphate.
Chemical Property Profile of 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate
Property Insights of 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate
The XLogP value of 3.4 indicates that 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate. Following Lipinski's Rule of Five, 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate 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-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate?
The CAS number of 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate is 64050-61-9.
What is the molecular formula of 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate?
The molecular formula of 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate is C16H33N2O8P.
What is the molecular weight of 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate?
The molecular weight of 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate is 412.20 g/mol.
Where can I buy 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate?
You can request a quote for 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl bis(2-methyl-2-nitropropyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.