(5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate
TL;DR: (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate (CAS 2055-29-0) is a chemical compound with molecular formula C12H13N2O9P and molecular weight 360.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethyl-5-nitro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 4-nitrobenzoate
Also Known As: (5-ethyl-5-nitro-2-oxo-1,3,2, 5-ethyl-5-nitro-2-[(4-nitrobenzoyl)oxy]-1,3,2-dioxaphosphinane 2-oxide, (5-ethyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-n, (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate, 5-Ethyl-5-nitro-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl 4-nitrobenzoate
| Molecular Formula | C12H13N2O9P |
|---|---|
| Molecular Weight | 360.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.03586 |
| Heavy Atoms | 24 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 2055-29-0 |
|---|---|
| SMILES | CCC1(COP(=O)(OC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YGSBMHNLWFAGEE-UHFFFAOYSA-N |
Product Overview
(5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate (CAS 2055-29-0), with molecular formula C12H13N2O9P and molecular weight 360.04 g/mol. IUPAC: (5-ethyl-5-nitro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 4-nitrobenzoate.
Chemical Property Profile of (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate
Property Insights of (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate. The TPSA of 153.0 Ų indicates high polarity, suggesting (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate has 0 hydrogen bond donor(s) and 9 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 (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate?
The CAS number of (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate is 2055-29-0.
What is the molecular formula of (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate?
The molecular formula of (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate is C12H13N2O9P.
What is the molecular weight of (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate?
The molecular weight of (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate is 360.04 g/mol.
Where can I buy (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate?
You can request a quote for (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl) 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.