Diethyl 2,3-bis(4-nitrophenyl)butanedioate
TL;DR: Diethyl 2,3-bis(4-nitrophenyl)butanedioate (CAS 6948-87-4) is a chemical compound with molecular formula C20H20N2O8 and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,3-bis(4-nitrophenyl)butanedioate
Also Known As: diethyl 2,3-bis(4-nitrophenyl)butanedioate
| Molecular Formula | C20H20N2O8 |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.12198 |
| Heavy Atoms | 30 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 6948-87-4 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC |
| InChIKey | COXAROUYLKIQFD-UHFFFAOYSA-N |
Product Overview
Diethyl 2,3-bis(4-nitrophenyl)butanedioate (CAS 6948-87-4), with molecular formula C20H20N2O8 and molecular weight 416.12 g/mol. IUPAC: diethyl 2,3-bis(4-nitrophenyl)butanedioate.
Chemical Property Profile of Diethyl 2,3-bis(4-nitrophenyl)butanedioate
Property Insights of Diethyl 2,3-bis(4-nitrophenyl)butanedioate
The XLogP value of 3.7 indicates that Diethyl 2,3-bis(4-nitrophenyl)butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Diethyl 2,3-bis(4-nitrophenyl)butanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 2,3-bis(4-nitrophenyl)butanedioate 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 Diethyl 2,3-bis(4-nitrophenyl)butanedioate?
The CAS number of Diethyl 2,3-bis(4-nitrophenyl)butanedioate is 6948-87-4.
What is the molecular formula of Diethyl 2,3-bis(4-nitrophenyl)butanedioate?
The molecular formula of Diethyl 2,3-bis(4-nitrophenyl)butanedioate is C20H20N2O8.
What is the molecular weight of Diethyl 2,3-bis(4-nitrophenyl)butanedioate?
The molecular weight of Diethyl 2,3-bis(4-nitrophenyl)butanedioate is 416.12 g/mol.
Where can I buy Diethyl 2,3-bis(4-nitrophenyl)butanedioate?
You can request a quote for Diethyl 2,3-bis(4-nitrophenyl)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,3-bis(4-nitrophenyl)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,3-bis(4-nitrophenyl)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.