Propane-1,2-diyl bis(3,5-dinitrobenzoate)
TL;DR: Propane-1,2-diyl bis(3,5-dinitrobenzoate) (CAS 7510-61-4) is a chemical compound with molecular formula C17H12N4O12 and molecular weight 464.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dinitrobenzoyl)oxypropyl 3,5-dinitrobenzoate
Also Known As: 1- oxypropan-2-yl3,5-dinitrobenzoate, Propane-1,2-diyl bis(3,5-dinitrobenzoate), 1,2-Propanediol, bis(3,5-dinitrobenzoate), 2-(3,5-dinitrobenzoyl)oxypropyl 3,5-dinitrobenzoate, 1,2-Propanediol,1,2-bis(3,5-dinitrobenzoate)
| Molecular Formula | C17H12N4O12 |
|---|---|
| Molecular Weight | 464.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.04517 |
| Heavy Atoms | 33 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 7510-61-4 |
|---|---|
| SMILES | CC(COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WIIUJIADHMYMHT-UHFFFAOYSA-N |
Product Overview
Propane-1,2-diyl bis(3,5-dinitrobenzoate) (CAS 7510-61-4), with molecular formula C17H12N4O12 and molecular weight 464.05 g/mol. IUPAC: 2-(3,5-dinitrobenzoyl)oxypropyl 3,5-dinitrobenzoate.
Chemical Property Profile of Propane-1,2-diyl bis(3,5-dinitrobenzoate)
Property Insights of Propane-1,2-diyl bis(3,5-dinitrobenzoate)
The XLogP value of 3.1 indicates that Propane-1,2-diyl bis(3,5-dinitrobenzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting Propane-1,2-diyl bis(3,5-dinitrobenzoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propane-1,2-diyl bis(3,5-dinitrobenzoate) 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-diyl bis(3,5-dinitrobenzoate)?
The CAS number of Propane-1,2-diyl bis(3,5-dinitrobenzoate) is 7510-61-4.
What is the molecular formula of Propane-1,2-diyl bis(3,5-dinitrobenzoate)?
The molecular formula of Propane-1,2-diyl bis(3,5-dinitrobenzoate) is C17H12N4O12.
What is the molecular weight of Propane-1,2-diyl bis(3,5-dinitrobenzoate)?
The molecular weight of Propane-1,2-diyl bis(3,5-dinitrobenzoate) is 464.05 g/mol.
Where can I buy Propane-1,2-diyl bis(3,5-dinitrobenzoate)?
You can request a quote for Propane-1,2-diyl bis(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 Propane-1,2-diyl bis(3,5-dinitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Propane-1,2-diyl bis(3,5-dinitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.