(S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid
TL;DR: (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid (CAS 956246-97-2) is a chemical compound with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methylsulfanyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoic acid
Also Known As: N-{[3-(2-oxo-2H-chromen-3-yl)phenyl]carbamoyl}-L-methionine, (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid, (2S)-4-methylsulfanyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoic acid, 4-methylsulfanyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoic Acid
| Molecular Formula | C21H20N2O5S |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 3.7878 |
| Topological Polar Surface Area | 108.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.10928 |
| Heavy Atoms | 29 |
| Complexity | 1095.6217 |
Chemical Identifiers
| CAS Number | 956246-97-2 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)NC1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O |
Product Overview
(S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid (CAS 956246-97-2), with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol. IUPAC: (2S)-4-methylsulfanyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoic acid.
Chemical Property Profile of (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid
Property Insights of (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid
The XLogP value of 3.7878 indicates that (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid. Following Lipinski's Rule of Five, (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)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)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid?
The CAS number of (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid is 956246-97-2.
What is the molecular formula of (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid?
The molecular formula of (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid is C21H20N2O5S.
What is the molecular weight of (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid?
The molecular weight of (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid is 412.11 g/mol.
Where can I buy (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid?
You can request a quote for (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)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)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-(methylthio)-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.