![Bis[2-(2,4-dinitroanilino)ethyl] butanedioate structure](/static/products/5682/56820-39-4.webp)
Bis[2-(2,4-dinitroanilino)ethyl] butanedioate
TL;DR: Bis[2-(2,4-dinitroanilino)ethyl] butanedioate (CAS 56820-39-4) is a chemical compound with molecular formula C20H20N6O12 and molecular weight 536.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-(2,4-dinitroanilino)ethyl] butanedioate
Also Known As: bis[2-(2,4-dinitroanilino)ethyl] butanedioate, Butanedioicacid, 1,4-bis[2-[(2,4-dinitrophenyl)amino]ethyl] ester, Butanedioicacid,bis[2-[(2,4-dinitrophenyl)amino]ethyl] ester (9CI)
| Molecular Formula | C20H20N6O12 |
|---|---|
| Molecular Weight | 536.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 260.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 536.1139 |
| Heavy Atoms | 38 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 56820-39-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCOC(=O)CCC(=O)OCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HWFRYZWDUYEGSH-UHFFFAOYSA-N |
Product Overview
Bis[2-(2,4-dinitroanilino)ethyl] butanedioate (CAS 56820-39-4), with molecular formula C20H20N6O12 and molecular weight 536.11 g/mol. IUPAC: bis[2-(2,4-dinitroanilino)ethyl] butanedioate.
Chemical Property Profile of Bis[2-(2,4-dinitroanilino)ethyl] butanedioate
Property Insights of Bis[2-(2,4-dinitroanilino)ethyl] butanedioate
The XLogP value of 3.7 indicates that Bis[2-(2,4-dinitroanilino)ethyl] butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 260.0 Ų indicates high polarity, suggesting Bis[2-(2,4-dinitroanilino)ethyl] butanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis[2-(2,4-dinitroanilino)ethyl] butanedioate has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis[2-(2,4-dinitroanilino)ethyl] butanedioate?
The CAS number of Bis[2-(2,4-dinitroanilino)ethyl] butanedioate is 56820-39-4.
What is the molecular formula of Bis[2-(2,4-dinitroanilino)ethyl] butanedioate?
The molecular formula of Bis[2-(2,4-dinitroanilino)ethyl] butanedioate is C20H20N6O12.
What is the molecular weight of Bis[2-(2,4-dinitroanilino)ethyl] butanedioate?
The molecular weight of Bis[2-(2,4-dinitroanilino)ethyl] butanedioate is 536.11 g/mol.
Where can I buy Bis[2-(2,4-dinitroanilino)ethyl] butanedioate?
You can request a quote for Bis[2-(2,4-dinitroanilino)ethyl] butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis[2-(2,4-dinitroanilino)ethyl] butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis[2-(2,4-dinitroanilino)ethyl] butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.