sodium (E)-2-nitro-3-oxoprop-1-en-1-olate
TL;DR: sodium (E)-2-nitro-3-oxoprop-1-en-1-olate (CAS 2199247-90-8) is a chemical compound with molecular formula C3H2NNaO4 and molecular weight 138.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium (E)-2-nitro-3-oxoprop-1-en-1-olate
Also Known As: Sodium 2-nitro-1,3-dioxopropan-2-ide, starbld0048198, nitromalonaldehyde sodium salt, Nitromalonaldehyde sodium, NITROMALONALDEHYDESODIUM
| Molecular Formula | C3H2NNaO4 |
|---|---|
| Molecular Weight | 138.99 g/mol |
| LogP | -4.3323 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.98816 |
| Heavy Atoms | 9 |
| Complexity | 142.74817 |
Chemical Identifiers
| CAS Number | 2199247-90-8 |
|---|---|
| SMILES | C(=C(\C=O)/[N+](=O)[O-])\[O-].[Na+] |
Product Overview
sodium (E)-2-nitro-3-oxoprop-1-en-1-olate (CAS 2199247-90-8), with molecular formula C3H2NNaO4 and molecular weight 138.99 g/mol. IUPAC: sodium (E)-2-nitro-3-oxoprop-1-en-1-olate.
Chemical Property Profile of sodium (E)-2-nitro-3-oxoprop-1-en-1-olate
Property Insights of sodium (E)-2-nitro-3-oxoprop-1-en-1-olate
The XLogP value of -4.3323 indicates that sodium (E)-2-nitro-3-oxoprop-1-en-1-olate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for sodium (E)-2-nitro-3-oxoprop-1-en-1-olate. Following Lipinski's Rule of Five, sodium (E)-2-nitro-3-oxoprop-1-en-1-olate has 0 hydrogen bond donor(s) and 4 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 sodium (E)-2-nitro-3-oxoprop-1-en-1-olate?
The CAS number of sodium (E)-2-nitro-3-oxoprop-1-en-1-olate is 2199247-90-8.
What is the molecular formula of sodium (E)-2-nitro-3-oxoprop-1-en-1-olate?
The molecular formula of sodium (E)-2-nitro-3-oxoprop-1-en-1-olate is C3H2NNaO4.
What is the molecular weight of sodium (E)-2-nitro-3-oxoprop-1-en-1-olate?
The molecular weight of sodium (E)-2-nitro-3-oxoprop-1-en-1-olate is 138.99 g/mol.
Where can I buy sodium (E)-2-nitro-3-oxoprop-1-en-1-olate?
You can request a quote for sodium (E)-2-nitro-3-oxoprop-1-en-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sodium (E)-2-nitro-3-oxoprop-1-en-1-olate?
Yes, KEHONG BIO provides custom synthesis services for sodium (E)-2-nitro-3-oxoprop-1-en-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.