![3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid structure](/static/products/6922/692273-48-6.webp)
3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
TL;DR: 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid (CAS 692273-48-6) is a chemical compound with molecular formula C22H13Cl2N3O5 and molecular weight 469.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
Also Known As: 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid, (E)-3-(2-((1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid, 3-[2-[(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid, 3-[2-[[1-(2,3-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic Acid
| Molecular Formula | C22H13Cl2N3O5 |
|---|---|
| Molecular Weight | 469.02 g/mol |
| LogP | 4.1487 |
| Topological Polar Surface Area | 108.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.02322 |
| Heavy Atoms | 32 |
| Complexity | 1328.6055 |
Chemical Identifiers
| CAS Number | 692273-48-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C=CC=C2/C=C/3\C(=O)NC(=O)N(C3=O)C4=C(C(=CC=C4)Cl)Cl)C(=O)O |
Product Overview
3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid (CAS 692273-48-6), with molecular formula C22H13Cl2N3O5 and molecular weight 469.02 g/mol. IUPAC: 3-[2-[(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Property Insights of 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 4.1487 indicates that 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-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-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid?
The CAS number of 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid is 692273-48-6.
What is the molecular formula of 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid is C22H13Cl2N3O5.
What is the molecular weight of 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid is 469.02 g/mol.
Where can I buy 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-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-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.