![3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid structure](/static/products/6922/692271-27-5.webp)
3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid
TL;DR: 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid (CAS 692271-27-5) is a chemical compound with molecular formula C24H17ClN2O5S and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid
Also Known As: 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid, (E)-3-(5-((1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)-4-methylbenzoic acid, 3-[5-[(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid
| Molecular Formula | C24H17ClN2O5S |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 4.74634 |
| Topological Polar Surface Area | 99.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.05466 |
| Heavy Atoms | 33 |
| Complexity | 1374.9242 |
Chemical Identifiers
| CAS Number | 692271-27-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)C |
Product Overview
3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid (CAS 692271-27-5), with molecular formula C24H17ClN2O5S and molecular weight 480.05 g/mol. IUPAC: 3-[5-[(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid.
Chemical Property Profile of 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid
Property Insights of 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid
The XLogP value of 4.74634 indicates that 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-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 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid?
The CAS number of 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid is 692271-27-5.
What is the molecular formula of 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid?
The molecular formula of 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid is C24H17ClN2O5S.
What is the molecular weight of 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid?
The molecular weight of 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid is 480.05 g/mol.
Where can I buy 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid?
You can request a quote for 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic 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-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.