![2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid structure](/static/products/5487/5487-20-7.webp)
2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid
TL;DR: 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid (CAS 5487-20-7) is a chemical compound with molecular formula C20H17N3O8 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy]propanoic acid
Also Known As: 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid, 2-[4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitro-phenoxy]propanoic Acid, 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy]propanoic acid
| Molecular Formula | C20H17N3O8 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 1.9167 |
| Topological Polar Surface Area | 148.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.10156 |
| Heavy Atoms | 31 |
| Complexity | 1097.1039 |
Chemical Identifiers
| CAS Number | 5487-20-7 |
|---|---|
| SMILES | CC(C(=O)O)OC1=C(C=C(C=C1OC)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid (CAS 5487-20-7), with molecular formula C20H17N3O8 and molecular weight 427.10 g/mol. IUPAC: 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy]propanoic acid.
Chemical Property Profile of 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid
Property Insights of 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid
The XLogP value of 1.9167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid. The TPSA of 148.31 Ų indicates high polarity, suggesting 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid has 2 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-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid?
The CAS number of 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid is 5487-20-7.
What is the molecular formula of 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid?
The molecular formula of 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid is C20H17N3O8.
What is the molecular weight of 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid?
The molecular weight of 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid is 427.10 g/mol.
Where can I buy 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid?
You can request a quote for 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.