Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester
TL;DR: Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester (CAS 5833-18-1) is a chemical compound with molecular formula C16H12N4O10 and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-bis(2,4-dinitrophenyl)acetate
Also Known As: Ethyl bis(2,4-dinitrophenyl)acetate, ethyl 2,2-bis(2,4-dinitrophenyl)acetate, Bis(2,4-dinitrophenyl)acetic acid ethyl ester, Ethyl-bis(2,4-dinitrophenyl)acetate, ethylbis(2,4-dinitrophenyl) acetate
| Molecular Formula | C16H12N4O10 |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.05533 |
| Heavy Atoms | 30 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 5833-18-1 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CMVIALRRHVVWIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester (CAS 5833-18-1), with molecular formula C16H12N4O10 and molecular weight 420.06 g/mol. IUPAC: ethyl 2,2-bis(2,4-dinitrophenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester
Property Insights of Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester
The XLogP value of 3.1 indicates that Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.0 Ų indicates high polarity, suggesting Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester has 0 hydrogen bond donor(s) and 10 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 Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester?
The CAS number of Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester is 5833-18-1.
What is the molecular formula of Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester?
The molecular formula of Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester is C16H12N4O10.
What is the molecular weight of Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester?
The molecular weight of Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester is 420.06 g/mol.
Where can I buy Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester?
You can request a quote for Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.