Ethyl 2,4-dinitro-anilino-acetate
TL;DR: Ethyl 2,4-dinitro-anilino-acetate (CAS 33414-81-2) is a chemical compound with molecular formula C10H11N3O6 and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,4-dinitroanilino)acetate
Also Known As: Ethyl 2,4-dinitro-anilino-acetate, ethyl 2-(2,4-dinitroanilino)acetate, Ethyl [(2,4-dinitrophenyl)amino]acetate, Ethyl[(2,4-dinitrophenyl)amino]acetate, ethyl N-(2,4-dinitrophenyl)glycinate
| Molecular Formula | C10H11N3O6 |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.0648 |
| Heavy Atoms | 19 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 33414-81-2 |
|---|---|
| SMILES | CCOC(=O)CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SNFSEYHQQBABCP-UHFFFAOYSA-N |
Product Overview
Ethyl 2,4-dinitro-anilino-acetate (CAS 33414-81-2), with molecular formula C10H11N3O6 and molecular weight 269.06 g/mol. IUPAC: ethyl 2-(2,4-dinitroanilino)acetate.
Chemical Property Profile of Ethyl 2,4-dinitro-anilino-acetate
Property Insights of Ethyl 2,4-dinitro-anilino-acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dinitro-anilino-acetate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,4-dinitro-anilino-acetate. Following Lipinski's Rule of Five, Ethyl 2,4-dinitro-anilino-acetate has 1 hydrogen bond donor(s) and 7 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 Ethyl 2,4-dinitro-anilino-acetate?
The CAS number of Ethyl 2,4-dinitro-anilino-acetate is 33414-81-2.
What is the molecular formula of Ethyl 2,4-dinitro-anilino-acetate?
The molecular formula of Ethyl 2,4-dinitro-anilino-acetate is C10H11N3O6.
What is the molecular weight of Ethyl 2,4-dinitro-anilino-acetate?
The molecular weight of Ethyl 2,4-dinitro-anilino-acetate is 269.06 g/mol.
Where can I buy Ethyl 2,4-dinitro-anilino-acetate?
You can request a quote for Ethyl 2,4-dinitro-anilino-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,4-dinitro-anilino-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dinitro-anilino-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.