Dimethyl 2-(2,4-dinitrophenyl)malonate
TL;DR: Dimethyl 2-(2,4-dinitrophenyl)malonate (CAS 59562-41-3) is a chemical compound with molecular formula C11H10N2O8 and molecular weight 298.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2,4-dinitrophenyl)propanedioate
Also Known As: dimethyl 2-(2,4-dinitrophenyl)malonate, dimethyl 2,4-dinitrophenylmalonate, Dimethyl 2-(2,4-dinitrophenyl)propanedioate, 1,3-dimethyl 2-(2,4-dinitrophenyl)propanedioate, J3.020.941I
| Molecular Formula | C11H10N2O8 |
|---|---|
| Molecular Weight | 298.04 g/mol |
| LogP | 0.9326 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.0437 |
| Heavy Atoms | 21 |
| Complexity | 596.24084 |
Chemical Identifiers
| CAS Number | 59562-41-3 |
|---|---|
| SMILES | COC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 2-(2,4-dinitrophenyl)malonate (CAS 59562-41-3), with molecular formula C11H10N2O8 and molecular weight 298.04 g/mol. IUPAC: dimethyl 2-(2,4-dinitrophenyl)propanedioate.
Chemical Property Profile of Dimethyl 2-(2,4-dinitrophenyl)malonate
Property Insights of Dimethyl 2-(2,4-dinitrophenyl)malonate
The XLogP value of 0.9326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(2,4-dinitrophenyl)malonate. The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(2,4-dinitrophenyl)malonate. Following Lipinski's Rule of Five, Dimethyl 2-(2,4-dinitrophenyl)malonate 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)malonate?
The CAS number of Dimethyl 2-(2,4-dinitrophenyl)malonate is 59562-41-3.
What is the molecular formula of Dimethyl 2-(2,4-dinitrophenyl)malonate?
The molecular formula of Dimethyl 2-(2,4-dinitrophenyl)malonate is C11H10N2O8.
What is the molecular weight of Dimethyl 2-(2,4-dinitrophenyl)malonate?
The molecular weight of Dimethyl 2-(2,4-dinitrophenyl)malonate is 298.04 g/mol.
Where can I buy Dimethyl 2-(2,4-dinitrophenyl)malonate?
You can request a quote for Dimethyl 2-(2,4-dinitrophenyl)malonate 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)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(2,4-dinitrophenyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.