Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate
TL;DR: Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate (CAS 861209-84-9) is a chemical compound with molecular formula C12H12N2O8 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2,4-dinitrophenyl)-2-methylpropanedioate
Also Known As: dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate, dimethyldinitrophenylmethylmalonate, dimethyl 2-(2,4-dinitrophenyl)-2-methylpropanedioate, 1,3-dimethyl 2-(2,4-dinitrophenyl)-2-methylpropanedioate, dimethyl2-(2,4-dinitrophenyl)-2-methylmalonate
| Molecular Formula | C12H12N2O8 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 1.1067 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.05936 |
| Heavy Atoms | 22 |
| Complexity | 638.52637 |
Chemical Identifiers
| CAS Number | 861209-84-9 |
|---|---|
| SMILES | CC(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])(C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate (CAS 861209-84-9), with molecular formula C12H12N2O8 and molecular weight 312.06 g/mol. IUPAC: dimethyl 2-(2,4-dinitrophenyl)-2-methylpropanedioate.
Chemical Property Profile of Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate
Property Insights of Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate
The XLogP value of 1.1067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate. The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate. Following Lipinski's Rule of Five, Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate has 0 hydrogen bond donor(s) and 8 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 Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate?
The CAS number of Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate is 861209-84-9.
What is the molecular formula of Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate?
The molecular formula of Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate is C12H12N2O8.
What is the molecular weight of Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate?
The molecular weight of Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate is 312.06 g/mol.
Where can I buy Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate?
You can request a quote for Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(2,4-dinitrophenyl)-2-methylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.