5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo-
TL;DR: 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo- (CAS 153260-30-1) is a chemical compound with molecular formula C20H16ClN3O5S and molecular weight 445.04993 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[(2-chlorobenzoyl)amino]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoic acid
Also Known As: 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo-, 2-[1-[(2-chlorobenzoyl)amino]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoic Acid, 1-[(2-Chlorobenzoyl)amino]-3-phenyl-alpha-methyl-2-thioxo-4,6-dioxohexahydropyrimidine-5-acetic acid, 2-(1-{[(2-Chlorophenyl)(hydroxy)methylidene]amino}-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)propanoic acid, 2-[1-(2-chlorobenzamido)-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoic acid
Technical Specifications
| Molecular Formula | C20H16ClN3O5S |
| Molecular Weight | 445.04993 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.04993 Da |
| Heavy Atoms | 30 |
| Complexity | 742.0 |
| SMILES | CC(C1C(=O)N(C(=S)N(C1=O)NC(=O)C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)O |
| InChIKey | DDJWJRKDYLMWOD-UHFFFAOYSA-N |
Chemical Property Profile of 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo-
Property Insights of 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo-
The XLogP value of 3.3 indicates that 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo-. Following Lipinski's Rule of Five, 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo-?
The CAS number of 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo- is 153260-30-1.
What is the molecular formula of 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo-?
The molecular formula of 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo- is C20H16ClN3O5S.
What is the molecular weight of 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo-?
The molecular weight of 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo- is 445.04993 g/mol.
Where can I buy 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo-?
You can request a quote for 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo-?
Yes, CoreyChem provides custom synthesis services for 5-Pyrimidineacetic acid, hexahydro-1-((2-chlorobenzoyl)amino)-4,6-dioxo-alpha-methyl-3-phenyl-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.