Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate
TL;DR: Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate (CAS 6324-67-0) is a chemical compound with molecular formula C12H12N2O7 and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate
Also Known As: Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate, ethyl 2-(N-tosylamino)acetate, Acetoacetic acid, 2-(2,4-dinitrophenyl)-, ethyl ester, Benzeneacetic acid,4-dinitro-, ethyl ester, Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate #
| Molecular Formula | C12H12N2O7 |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.06445 |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 6324-67-0 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)C |
| InChIKey | KUXDAXQUXQMFED-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate (CAS 6324-67-0), with molecular formula C12H12N2O7 and molecular weight 296.06 g/mol. IUPAC: ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate
Property Insights of Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate has 0 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-(2,4-dinitrophenyl)-3-oxobutanoate?
The CAS number of Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate is 6324-67-0.
What is the molecular formula of Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate?
The molecular formula of Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate is C12H12N2O7.
What is the molecular weight of Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate?
The molecular weight of Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate is 296.06 g/mol.
Where can I buy Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate?
You can request a quote for Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.