(S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid
TL;DR: (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid (CAS 956705-58-1) is a chemical compound with molecular formula C17H21N3O5S and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid
Also Known As: (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid, N-[4-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)butanoyl]-L-methionine, (2S)-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid, 2-[4-(2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)BUTANAMIDO]-4-(METHYLSULFANYL)BUTANOIC ACID
| Molecular Formula | C17H21N3O5S |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 0.7925 |
| Topological Polar Surface Area | 121.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 379.12018 |
| Heavy Atoms | 26 |
| Complexity | 905.14185 |
Chemical Identifiers
| CAS Number | 956705-58-1 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)CCCN1C(=O)C2=CC=CC=C2NC1=O |
Product Overview
(S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid (CAS 956705-58-1), with molecular formula C17H21N3O5S and molecular weight 379.12 g/mol. IUPAC: (2S)-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid
Property Insights of (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid
The XLogP value of 0.7925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid. The TPSA of 121.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid. Following Lipinski's Rule of Five, (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid has 3 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 (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid?
The CAS number of (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid is 956705-58-1.
What is the molecular formula of (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid?
The molecular formula of (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid is C17H21N3O5S.
What is the molecular weight of (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid?
The molecular weight of (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid is 379.12 g/mol.
Where can I buy (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid?
You can request a quote for (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamido)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.