![Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate structure](/static/products/3390/339096-75-2.webp)
Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate
TL;DR: Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate (CAS 339096-75-2) is a chemical compound with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-3-(4-nitrophenyl)-3-oxopropan-1-imine oxide
Also Known As: N-METHYL-3-(4-NITROPHENYL)-3-OXOPROPANIMINE OXIDE, methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate, N-methyl-3-(4-nitrophenyl)-3-oxo-propan-1-imine Oxide, N-methyl-3-(4-nitrophenyl)-3-oxopropan-1-imine oxide
| Molecular Formula | C10H10N2O4 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 1.3785 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.06406 |
| Heavy Atoms | 16 |
| Complexity | 432.63718 |
Chemical Identifiers
| CAS Number | 339096-75-2 |
|---|---|
| SMILES | C[N+](=CCC(=O)C1=CC=C(C=C1)[N+](=O)[O-])[O-] |
Product Overview
Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate (CAS 339096-75-2), with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol. IUPAC: N-methyl-3-(4-nitrophenyl)-3-oxopropan-1-imine oxide.
Chemical Property Profile of Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate
Property Insights of Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate
The XLogP value of 1.3785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate. Following Lipinski's Rule of Five, Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate 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 Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate?
The CAS number of Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate is 339096-75-2.
What is the molecular formula of Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate?
The molecular formula of Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate is C10H10N2O4.
What is the molecular weight of Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate?
The molecular weight of Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate is 222.06 g/mol.
Where can I buy Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate?
You can request a quote for Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate?
Yes, KEHONG BIO provides custom synthesis services for Methyl[3-(4-nitrophenyl)-3-oxopropylidene]ammoniumolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.