(S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid
TL;DR: (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid (CAS 1173666-44-8) is a chemical compound with molecular formula C14H20N2O3S and molecular weight 296.11948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
Also Known As: (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid, (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid, 2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylsulfanyl-butanoic Acid
Technical Specifications
| Molecular Formula | C14H20N2O3S |
| Molecular Weight | 296.11948 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.11948 Da |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
| SMILES | CC1=C(C(=CC=C1)NC(=O)N[C@@H](CCSC)C(=O)O)C |
| InChIKey | JERKMFMMKZEPMS-LBPRGKRZSA-N |
Chemical Property Profile of (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid
Property Insights of (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid. Following Lipinski's Rule of Five, (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid has 3 hydrogen bond donor(s) and 4 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-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid?
The CAS number of (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid is 1173666-44-8.
What is the molecular formula of (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid?
The molecular formula of (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid is C14H20N2O3S.
What is the molecular weight of (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid?
The molecular weight of (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid is 296.11948 g/mol.
Where can I buy (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid?
You can request a quote for (S)-2-(3-(2,3-dimethylphenyl)ureido)-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-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid?
Yes, CoreyChem provides custom synthesis services for (S)-2-(3-(2,3-dimethylphenyl)ureido)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.