Propane-1,2,3-triyl tris(4-nitrobenzoate)
TL;DR: Propane-1,2,3-triyl tris(4-nitrobenzoate) (CAS 95212-02-5) is a chemical compound with molecular formula C24H17N3O12 and molecular weight 539.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis[(4-nitrobenzoyl)oxy]propyl 4-nitrobenzoate
Also Known As: propane-1,2,3-triyl tris(4-nitrobenzoate), 2,3-bis[(4-nitrobenzoyl)oxy]propyl 4-nitrobenzoate, 1,2,3-Propanetriol,1,2,3-tris(4-nitrobenzoate), 2-[(4-nitrobenzoyl)oxy]-1-{[(4-nitrobenzoyl)oxy]methyl}ethyl 4-nitrobenzoate, RefChem:374305
| Molecular Formula | C24H17N3O12 |
|---|---|
| Molecular Weight | 539.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 539.08124 |
| Heavy Atoms | 39 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 95212-02-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JTDQKMBDXMZMNX-UHFFFAOYSA-N |
Product Overview
Propane-1,2,3-triyl tris(4-nitrobenzoate) (CAS 95212-02-5), with molecular formula C24H17N3O12 and molecular weight 539.08 g/mol. IUPAC: 2,3-bis[(4-nitrobenzoyl)oxy]propyl 4-nitrobenzoate.
Chemical Property Profile of Propane-1,2,3-triyl tris(4-nitrobenzoate)
Property Insights of Propane-1,2,3-triyl tris(4-nitrobenzoate)
The XLogP value of 4.4 indicates that Propane-1,2,3-triyl tris(4-nitrobenzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.0 Ų indicates high polarity, suggesting Propane-1,2,3-triyl tris(4-nitrobenzoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propane-1,2,3-triyl tris(4-nitrobenzoate) has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propane-1,2,3-triyl tris(4-nitrobenzoate)?
The CAS number of Propane-1,2,3-triyl tris(4-nitrobenzoate) is 95212-02-5.
What is the molecular formula of Propane-1,2,3-triyl tris(4-nitrobenzoate)?
The molecular formula of Propane-1,2,3-triyl tris(4-nitrobenzoate) is C24H17N3O12.
What is the molecular weight of Propane-1,2,3-triyl tris(4-nitrobenzoate)?
The molecular weight of Propane-1,2,3-triyl tris(4-nitrobenzoate) is 539.08 g/mol.
Where can I buy Propane-1,2,3-triyl tris(4-nitrobenzoate)?
You can request a quote for Propane-1,2,3-triyl tris(4-nitrobenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane-1,2,3-triyl tris(4-nitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Propane-1,2,3-triyl tris(4-nitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.