(Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid
TL;DR: (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 731832-66-9) 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-[5-[(Z)-[1-(4-butan-2-ylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid, 4-[5-[(Z)-[1-(4-butan-2-ylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid, 4-[5-[[1-(4-butan-2-ylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furyl]benzoic Acid, 4-{5-[(Z)-{1-[4-(butan-2-yl)phenyl]-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene}methyl]furan-2-yl}benzoic acid
| Molecular Formula | C26H22N2O6 |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 4.8247 |
| Topological Polar Surface Area | 116.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1478 |
| Heavy Atoms | 34 |
| Complexity | 1301.8186 |
Chemical Identifiers
| CAS Number | 731832-66-9 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)/C(=O)NC2=O |
Product Overview
(Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 731832-66-9), with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol. IUPAC: 4-[5-[(Z)-[1-(4-butan-2-ylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid
Property Insights of (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid
The XLogP value of 4.8247 indicates that (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)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 (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
The CAS number of (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid is 731832-66-9.
What is the molecular formula of (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular formula of (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid is C26H22N2O6.
What is the molecular weight of (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular weight of (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid is 458.15 g/mol.
Where can I buy (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
You can request a quote for (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-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 (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.