![4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid structure](/static/products/5561/5561-84-2.webp)
4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid
TL;DR: 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid (CAS 5561-84-2) is a chemical compound with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid
Also Known As: 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid, 4-({4-[(1-Benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid, 4-(4-{[(4Z)-1-BENZYL-2,5-DIOXOIMIDAZOLIDIN-4-YLIDENE]METHYL}-2-METHOXYPHENOXYMETHYL)BENZOIC ACID, 4-[[4-[(1-benzyl-2,5-dioxo-imidazolidin-4-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic Acid
| Molecular Formula | C26H22N2O6 |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 4.0653 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.1478 |
| Heavy Atoms | 34 |
| Complexity | 1252.0422 |
Chemical Identifiers
| CAS Number | 5561-84-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N2)CC3=CC=CC=C3)OCC4=CC=C(C=C4)C(=O)O |
Product Overview
4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid (CAS 5561-84-2), with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol. IUPAC: 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid
Property Insights of 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid
The XLogP value of 4.0653 indicates that 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid has 2 hydrogen bond donor(s) and 5 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-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid?
The CAS number of 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid is 5561-84-2.
What is the molecular formula of 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid?
The molecular formula of 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid is C26H22N2O6.
What is the molecular weight of 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid?
The molecular weight of 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid is 458.15 g/mol.
Where can I buy 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid?
You can request a quote for 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.