![{4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid structure](/static/products/3309/330955-89-0.webp)
{4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid
TL;DR: {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid (CAS 330955-89-0) is a chemical compound with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid
Also Known As: BIM-0008774.P001, {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid, (E)-2-(4-((3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl)phenoxy)acetic acid, 2-(4-{[(4E)-3,5-DIOXO-1-PHENYLPYRAZOLIDIN-4-YLIDENE]METHYL}PHENOXY)ACETIC ACID, 2-[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid
| Molecular Formula | C18H14N2O5 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 1.6114 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.09027 |
| Heavy Atoms | 25 |
| Complexity | 843.52997 |
Chemical Identifiers
| CAS Number | 330955-89-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)O)/C(=O)N2 |
Product Overview
{4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid (CAS 330955-89-0), with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol. IUPAC: 2-[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid
Property Insights of {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid
The XLogP value of 1.6114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid. Following Lipinski's Rule of Five, {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid has 2 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 {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid?
The CAS number of {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid is 330955-89-0.
What is the molecular formula of {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid?
The molecular formula of {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid is C18H14N2O5.
What is the molecular weight of {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid?
The molecular weight of {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid is 338.09 g/mol.
Where can I buy {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid?
You can request a quote for {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.