![(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate structure](/static/products/135/13589-04-3.webp)
(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate
TL;DR: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate (CAS 13589-04-3) is a chemical compound with molecular formula C14H20N2O4S and molecular weight 312.11438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Also Known As: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate, (2S)-2-{[(2s)-2-ammonio-4-(methylsulfanyl)butanoyl]amino}-3-(4-hydroxyphenyl)propanoate
Technical Specifications
| Molecular Formula | C14H20N2O4S |
| Molecular Weight | 312.11438 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.11438 Da |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
| SMILES | CSCC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)[O-])[NH3+] |
| InChIKey | PESQCPHRXOFIPX-RYUDHWBXSA-N |
Chemical Property Profile of (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Property Insights of (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate
The XLogP value of -1.4 indicates that (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate 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
What is the CAS number of (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate?
The CAS number of (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate is 13589-04-3.
What is the molecular formula of (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate?
The molecular formula of (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate is C14H20N2O4S.
What is the molecular weight of (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate?
The molecular weight of (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate is 312.11438 g/mol.
Where can I buy (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate?
You can request a quote for (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate?
Yes, CoreyChem provides custom synthesis services for (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.