![4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid structure](/static/products/6909/690967-25-0.webp)
4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
TL;DR: 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid (CAS 690967-25-0) is a chemical compound with molecular formula C24H17ClN2O6 and molecular weight 464.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid
Also Known As: 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid, (Z)-4-(5-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid, 4-[5-[(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid
| Molecular Formula | C24H17ClN2O6 |
|---|---|
| Molecular Weight | 464.08 g/mol |
| LogP | 4.58144 |
| Topological Polar Surface Area | 116.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.0775 |
| Heavy Atoms | 33 |
| Complexity | 1371.024 |
Chemical Identifiers
| CAS Number | 690967-25-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=C(C=C(C=C4)C(=O)O)C)/C(=O)NC2=O)Cl |
Product Overview
4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid (CAS 690967-25-0), with molecular formula C24H17ClN2O6 and molecular weight 464.08 g/mol. IUPAC: 4-[5-[(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid.
Chemical Property Profile of 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
Property Insights of 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
The XLogP value of 4.58144 indicates that 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic 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 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid. Following Lipinski's Rule of Five, 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic 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-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid?
The CAS number of 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid is 690967-25-0.
What is the molecular formula of 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid?
The molecular formula of 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid is C24H17ClN2O6.
What is the molecular weight of 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid?
The molecular weight of 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid is 464.08 g/mol.
Where can I buy 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid?
You can request a quote for 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.