2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate
TL;DR: 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate (CAS 7155-33-1) is a chemical compound with molecular formula C10H6N4O7 and molecular weight 294.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-diazo-3-(3,5-dinitrophenyl)-3-oxopropanoate
Also Known As: 2-diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate, methyl 2-diazo-3-(3,5-dinitrophenyl)-3-oxopropanoate, 2-diazo-3-(3,5-dinitro-phenyl)-3-oxo-propionic acid methyl ester, (E)-2-diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate, 2-diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxo-prop-1-en-1-olate
| Molecular Formula | C10H6N4O7 |
|---|---|
| Molecular Weight | 294.02 g/mol |
| LogP | 0.5295 |
| Topological Polar Surface Area | 166.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.02365 |
| Heavy Atoms | 21 |
| Complexity | 673.1078 |
Chemical Identifiers
| CAS Number | 7155-33-1 |
|---|---|
| SMILES | COC(=O)C(=[N+]=[N-])C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate (CAS 7155-33-1), with molecular formula C10H6N4O7 and molecular weight 294.02 g/mol. IUPAC: methyl 2-diazo-3-(3,5-dinitrophenyl)-3-oxopropanoate.
Chemical Property Profile of 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate
Property Insights of 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate
The XLogP value of 0.5295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate. The TPSA of 166.05 Ų indicates high polarity, suggesting 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate has 0 hydrogen bond donor(s) and 7 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 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate?
The CAS number of 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate is 7155-33-1.
What is the molecular formula of 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate?
The molecular formula of 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate is C10H6N4O7.
What is the molecular weight of 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate?
The molecular weight of 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate is 294.02 g/mol.
Where can I buy 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate?
You can request a quote for 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-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 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-Diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.