Diethyl 2-methyl-2-nitromalonate
TL;DR: Diethyl 2-methyl-2-nitromalonate (CAS 65612-01-3) is a chemical compound with molecular formula C8H13NO6 and molecular weight 219.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methyl-2-nitropropanedioate
Also Known As: diethyl 2-methyl-2-nitromalonate, diethyl 2-methyl-2-nitropropanedioate, methyl-nitro-malonic acid diethyl ester, Diethyl 2-methyl-2-nitro-propanedioate, 636-252-9
| Molecular Formula | C8H13NO6 |
|---|---|
| Molecular Weight | 219.07 g/mol |
| LogP | 0.148 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.07428 |
| Heavy Atoms | 15 |
| Complexity | 256.30545 |
Chemical Identifiers
| CAS Number | 65612-01-3 |
|---|---|
| SMILES | CCOC(=O)C(C)(C(=O)OCC)[N+](=O)[O-] |
Product Overview
Diethyl 2-methyl-2-nitromalonate (CAS 65612-01-3), with molecular formula C8H13NO6 and molecular weight 219.07 g/mol. IUPAC: diethyl 2-methyl-2-nitropropanedioate.
Chemical Property Profile of Diethyl 2-methyl-2-nitromalonate
Property Insights of Diethyl 2-methyl-2-nitromalonate
The XLogP value of 0.148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-methyl-2-nitromalonate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-methyl-2-nitromalonate. Following Lipinski's Rule of Five, Diethyl 2-methyl-2-nitromalonate 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 Diethyl 2-methyl-2-nitromalonate?
The CAS number of Diethyl 2-methyl-2-nitromalonate is 65612-01-3.
What is the molecular formula of Diethyl 2-methyl-2-nitromalonate?
The molecular formula of Diethyl 2-methyl-2-nitromalonate is C8H13NO6.
What is the molecular weight of Diethyl 2-methyl-2-nitromalonate?
The molecular weight of Diethyl 2-methyl-2-nitromalonate is 219.07 g/mol.
Where can I buy Diethyl 2-methyl-2-nitromalonate?
You can request a quote for Diethyl 2-methyl-2-nitromalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-methyl-2-nitromalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-methyl-2-nitromalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.