Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate
TL;DR: Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate (CAS 1036386-65-8) is a chemical compound with molecular formula C30H36N2O18 and molecular weight 712.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-4-nitrophenyl] oxalate
Also Known As: TDPO, Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate, 3-benzyloxy-2-cyclopropylmethoxy-benzaldehyde, 2-Chloro-4-fluoro-1-(2-methoxyethoxy)benzene, bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-4-nitrophenyl] oxalate
| Molecular Formula | C30H36N2O18 |
|---|---|
| Molecular Weight | 712.20 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 27 |
| Exact Mass | 712.1963 |
| Heavy Atoms | 50 |
| Complexity | 984.0 |
Chemical Identifiers
| CAS Number | 1036386-65-8 |
|---|---|
| SMILES | COCCOCCOCCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC(=O)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCOCCOCCOC |
| InChIKey | XDJYPHQPTUDHFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate (CAS 1036386-65-8), with molecular formula C30H36N2O18 and molecular weight 712.20 g/mol. IUPAC: bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-4-nitrophenyl] oxalate.
Chemical Property Profile of Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate
Property Insights of Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate. The TPSA of 252.0 Ų indicates high polarity, suggesting Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate?
The CAS number of Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate is 1036386-65-8.
What is the molecular formula of Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate?
The molecular formula of Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate is C30H36N2O18.
What is the molecular weight of Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate?
The molecular weight of Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate is 712.20 g/mol.
Where can I buy Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate?
You can request a quote for Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-nitro-2-(3,6,9-trioxadecyloxycarbonyl)phenyl)oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.