Dimethyl nitromalonate
TL;DR: Dimethyl nitromalonate (CAS 6298-51-7) is a chemical compound with molecular formula C5H7NO6 and molecular weight 177.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-nitropropanedioate
Also Known As: Dimethyl nitromalonate, Dimethyl 2-nitromalonate, dimethyl 2-nitropropanedioate, Dimethylnitromalonate, 1,3-dimethyl 2-nitropropanedioate
| Molecular Formula | C5H7NO6 |
|---|---|
| Molecular Weight | 177.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.02734 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 6298-51-7 |
|---|---|
| SMILES | COC(=O)C(C(=O)OC)[N+](=O)[O-] |
| InChIKey | GLKRAUOJZYHDSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl nitromalonate (CAS 6298-51-7), with molecular formula C5H7NO6 and molecular weight 177.03 g/mol. IUPAC: dimethyl 2-nitropropanedioate.
Chemical Property Profile of Dimethyl nitromalonate
Property Insights of Dimethyl nitromalonate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl nitromalonate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl nitromalonate. Following Lipinski's Rule of Five, Dimethyl 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 Dimethyl nitromalonate?
The CAS number of Dimethyl nitromalonate is 6298-51-7.
What is the molecular formula of Dimethyl nitromalonate?
The molecular formula of Dimethyl nitromalonate is C5H7NO6.
What is the molecular weight of Dimethyl nitromalonate?
The molecular weight of Dimethyl nitromalonate is 177.03 g/mol.
Where can I buy Dimethyl nitromalonate?
You can request a quote for Dimethyl nitromalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl nitromalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl nitromalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.