(2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid
TL;DR: (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid (CAS 126264-02-6) is a chemical compound with molecular formula C10H16N2O3S and molecular weight 244.08817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid
Also Known As: (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid, (S)-1-(1-Carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide, 3-[(S)-1-Carboxy-3-(methylthio)propyl]-4,5-dimethyl-3H-imidazole 1-oxide, 1-[(1S)-1-carboxy-3-(methylsulfanyl)propyl]-4,5-dimethyl-1H-imidazol-3-ium-3-olate
Technical Specifications
| Molecular Formula | C10H16N2O3S |
| Molecular Weight | 244.08817 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 93.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.08817 Da |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
| SMILES | CC1=C([N+](=CN1[C@@H](CCSC)C(=O)O)[O-])C |
| InChIKey | VSFLHMWGTMRKNN-VIFPVBQESA-N |
Chemical Property Profile of (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid
Property Insights of (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid. Following Lipinski's Rule of Five, (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid has 1 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 (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid?
The CAS number of (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid is 126264-02-6.
What is the molecular formula of (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid?
The molecular formula of (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid is C10H16N2O3S.
What is the molecular weight of (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid?
The molecular weight of (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid is 244.08817 g/mol.
Where can I buy (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid?
You can request a quote for (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.