![3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid structure](/static/products/5550/5550-48-1.webp)
3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
TL;DR: 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid (CAS 5550-48-1) is a chemical compound with molecular formula C16H12N2O5 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: 3-[5-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid, 3-[5-[(1-methyl-2,5-dioxo-imidazolidin-4-ylidene)methyl]-2-furyl]benzoic Acid, 3-{5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
| Molecular Formula | C16H12N2O5 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 2.1673 |
| Topological Polar Surface Area | 99.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.07462 |
| Heavy Atoms | 23 |
| Complexity | 849.6604 |
Chemical Identifiers
| CAS Number | 5550-48-1 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)NC1=O |
Product Overview
3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid (CAS 5550-48-1), with molecular formula C16H12N2O5 and molecular weight 312.07 g/mol. IUPAC: 3-[5-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
Property Insights of 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
The XLogP value of 2.1673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid. The TPSA of 99.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic 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 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid?
The CAS number of 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid is 5550-48-1.
What is the molecular formula of 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid?
The molecular formula of 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid is C16H12N2O5.
What is the molecular weight of 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid?
The molecular weight of 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid is 312.07 g/mol.
Where can I buy 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid?
You can request a quote for 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.