Benzeneacetic acid, 2,4-dinitro-, ethyl ester
TL;DR: Benzeneacetic acid, 2,4-dinitro-, ethyl ester (CAS 68084-17-3) is a chemical compound with molecular formula C10H10N2O6 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,4-dinitrophenyl)acetate
Also Known As: ethyl 2-(2,4-dinitrophenyl)acetate, Ethyl 2,4-dinitrophenylacetate, ethyl (2,4-dinitrophenyl)acetate, Benzeneacetic acid, 2,4-dinitro-, ethyl ester, ethyl(2,4-dinitrophenyl)acetate
| Molecular Formula | C10H10N2O6 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.05388 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 68084-17-3 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GLXVIYXAYZPDSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, 2,4-dinitro-, ethyl ester (CAS 68084-17-3), with molecular formula C10H10N2O6 and molecular weight 254.05 g/mol. IUPAC: ethyl 2-(2,4-dinitrophenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, 2,4-dinitro-, ethyl ester
Property Insights of Benzeneacetic acid, 2,4-dinitro-, ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 2,4-dinitro-, ethyl ester. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 2,4-dinitro-, ethyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 2,4-dinitro-, ethyl ester has 0 hydrogen bond donor(s) and 6 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, 2,4-dinitro-, ethyl ester?
The CAS number of Benzeneacetic acid, 2,4-dinitro-, ethyl ester is 68084-17-3.
What is the molecular formula of Benzeneacetic acid, 2,4-dinitro-, ethyl ester?
The molecular formula of Benzeneacetic acid, 2,4-dinitro-, ethyl ester is C10H10N2O6.
What is the molecular weight of Benzeneacetic acid, 2,4-dinitro-, ethyl ester?
The molecular weight of Benzeneacetic acid, 2,4-dinitro-, ethyl ester is 254.05 g/mol.
Where can I buy Benzeneacetic acid, 2,4-dinitro-, ethyl ester?
You can request a quote for Benzeneacetic acid, 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, 2,4-dinitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2,4-dinitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.