Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester
TL;DR: Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester (CAS 57025-45-3) is a chemical compound with molecular formula C11H12N2O6 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl) 2,2-dimethylpropanoate
Also Known As: 2,4-Dinitrophenyl pivalate, 2,4-Dinitrophenyl pivalate #, (2,4-dinitrophenyl) 2,2-dimethylpropanoate, Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester, 2,4-DINITROPHENYL 2,2-DIMETHYLPROPANOATE
| Molecular Formula | C11H12N2O6 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.06955 |
| Heavy Atoms | 19 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 57025-45-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SEBUYNOQPFWJRJ-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester (CAS 57025-45-3), with molecular formula C11H12N2O6 and molecular weight 268.07 g/mol. IUPAC: (2,4-dinitrophenyl) 2,2-dimethylpropanoate.
Chemical Property Profile of Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester
Property Insights of Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl 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 Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester?
The CAS number of Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester is 57025-45-3.
What is the molecular formula of Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester?
The molecular formula of Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester is C11H12N2O6.
What is the molecular weight of Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester?
The molecular weight of Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester is 268.07 g/mol.
Where can I buy Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester?
You can request a quote for Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.