(S)-4-(methylthio)-2-(3-pentylureido)butanoic acid
TL;DR: (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid (CAS 1173664-23-7) is a chemical compound with molecular formula C11H22N2O3S and molecular weight 262.1351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-4-methylsulfanyl-2-(pentylcarbamoylamino)butanoic acid
Also Known As: (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid, 4-methylsulfanyl-2-(pentylcarbamoylamino)butanoic Acid, (2S)-4-methylsulfanyl-2-(pentylcarbamoylamino)butanoic acid
Technical Specifications
| Molecular Formula | C11H22N2O3S |
| Molecular Weight | 262.1351 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 262.1351 Da |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
| SMILES | CCCCCNC(=O)N[C@@H](CCSC)C(=O)O |
| InChIKey | HFXUAOPKSLELGI-VIFPVBQESA-N |
Chemical Property Profile of (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid
Property Insights of (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid. Following Lipinski's Rule of Five, (S)-4-(methylthio)-2-(3-pentylureido)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)-4-(methylthio)-2-(3-pentylureido)butanoic acid?
The CAS number of (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid is 1173664-23-7.
What is the molecular formula of (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid?
The molecular formula of (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid is C11H22N2O3S.
What is the molecular weight of (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid?
The molecular weight of (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid is 262.1351 g/mol.
Where can I buy (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid?
You can request a quote for (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid?
Yes, CoreyChem provides custom synthesis services for (S)-4-(methylthio)-2-(3-pentylureido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.