Bis(4-nitrobenzyl) succinate
TL;DR: Bis(4-nitrobenzyl) succinate (CAS 5874-42-0) is a chemical compound with molecular formula C18H16N2O8 and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(4-nitrophenyl)methyl] butanedioate
Also Known As: Bis(4-nitrobenzyl) succinate, bis[(4-nitrophenyl)methyl] butanedioate, Bis-(4-nitro-benzyl)-succinat, Bis(4-nitrobenzyl) succinate #, Succinic acid bis-(4-nitro-benzyl) ester
| Molecular Formula | C18H16N2O8 |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.09067 |
| Heavy Atoms | 28 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 5874-42-0 |
|---|---|
| SMILES | C1=CC(=CC=C1COC(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CTSIAVDIJRBHQL-UHFFFAOYSA-N |
Product Overview
Bis(4-nitrobenzyl) succinate (CAS 5874-42-0), with molecular formula C18H16N2O8 and molecular weight 388.09 g/mol. IUPAC: bis[(4-nitrophenyl)methyl] butanedioate.
Chemical Property Profile of Bis(4-nitrobenzyl) succinate
Property Insights of Bis(4-nitrobenzyl) succinate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(4-nitrobenzyl) succinate. The TPSA of 144.0 Ų indicates high polarity, suggesting Bis(4-nitrobenzyl) succinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(4-nitrobenzyl) succinate has 0 hydrogen bond donor(s) and 8 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 Bis(4-nitrobenzyl) succinate?
The CAS number of Bis(4-nitrobenzyl) succinate is 5874-42-0.
What is the molecular formula of Bis(4-nitrobenzyl) succinate?
The molecular formula of Bis(4-nitrobenzyl) succinate is C18H16N2O8.
What is the molecular weight of Bis(4-nitrobenzyl) succinate?
The molecular weight of Bis(4-nitrobenzyl) succinate is 388.09 g/mol.
Where can I buy Bis(4-nitrobenzyl) succinate?
You can request a quote for Bis(4-nitrobenzyl) succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-nitrobenzyl) succinate?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-nitrobenzyl) succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.