(S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid
TL;DR: (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid (CAS 1173662-60-6) is a chemical compound with molecular formula C22H23N3O5S and molecular weight 441.13583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid, N-[(2R)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-phenylpropanoyl]-L-methionine, (2S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
Technical Specifications
| Molecular Formula | C22H23N3O5S |
| Molecular Weight | 441.13583 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.13583 Da |
| Heavy Atoms | 31 |
| Complexity | 682.0 |
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3NC2=O |
| InChIKey | YFYYUMMMSAYHTR-ZWKOTPCHSA-N |
Chemical Property Profile of (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid
Property Insights of (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid. The TPSA of 141.0 Ų indicates high polarity, suggesting (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid has 3 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 (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid?
The CAS number of (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid is 1173662-60-6.
What is the molecular formula of (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid?
The molecular formula of (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid is C22H23N3O5S.
What is the molecular weight of (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid?
The molecular weight of (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid is 441.13583 g/mol.
Where can I buy (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid?
You can request a quote for (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid?
Yes, CoreyChem provides custom synthesis services for (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.