Ethylene glycol bis(3,5-dinitrobenzoate)
TL;DR: Ethylene glycol bis(3,5-dinitrobenzoate) (CAS 66365-49-9) is a chemical compound with molecular formula C16H10N4O12 and molecular weight 450.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dinitrobenzoyl)oxyethyl 3,5-dinitrobenzoate
Also Known As: Ethylen-bis-3,5-dinitrobenzoat, Ethylene glycol bis(3,5-dinitrobenzoate), Bis(3,5-dinitrobenzoic acid)ethylene ester, Ethane-1,2-diyl bis(3,5-dinitrobenzoate), J2.668.796I
| Molecular Formula | C16H10N4O12 |
|---|---|
| Molecular Weight | 450.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.0295 |
| Heavy Atoms | 32 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 66365-49-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FKERDMUSSICEEN-UHFFFAOYSA-N |
Product Overview
Ethylene glycol bis(3,5-dinitrobenzoate) (CAS 66365-49-9), with molecular formula C16H10N4O12 and molecular weight 450.03 g/mol. IUPAC: 2-(3,5-dinitrobenzoyl)oxyethyl 3,5-dinitrobenzoate.
Chemical Property Profile of Ethylene glycol bis(3,5-dinitrobenzoate)
Property Insights of Ethylene glycol bis(3,5-dinitrobenzoate)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylene glycol bis(3,5-dinitrobenzoate). The TPSA of 236.0 Ų indicates high polarity, suggesting Ethylene glycol bis(3,5-dinitrobenzoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethylene glycol 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 Ethylene glycol bis(3,5-dinitrobenzoate)?
The CAS number of Ethylene glycol bis(3,5-dinitrobenzoate) is 66365-49-9.
What is the molecular formula of Ethylene glycol bis(3,5-dinitrobenzoate)?
The molecular formula of Ethylene glycol bis(3,5-dinitrobenzoate) is C16H10N4O12.
What is the molecular weight of Ethylene glycol bis(3,5-dinitrobenzoate)?
The molecular weight of Ethylene glycol bis(3,5-dinitrobenzoate) is 450.03 g/mol.
Where can I buy Ethylene glycol bis(3,5-dinitrobenzoate)?
You can request a quote for Ethylene glycol 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 Ethylene glycol bis(3,5-dinitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Ethylene glycol bis(3,5-dinitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.