1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide
TL;DR: 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide (CAS 126263-37-4) is a chemical compound with molecular formula C10H16N2O3S and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid
Also Known As: 1-[1-carboxy-3-(methylsulfanyl)propyl]-4,5-dimethyl-1H-imidazol-3-ium-3-olate, 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide, 2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid, 2-(4,5-dimethyl-3-oxido-1H-imidazol-1-yl)-4-(methylsulfanyl)butanoic acid, 1-[1-carboxy-3-(methylsulfanyl)propyl]-4,5-dimethylimidazole 3-oxide
| Molecular Formula | C10H16N2O3S |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 1.11714 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.08817 |
| Heavy Atoms | 16 |
| Complexity | 389.661 |
Chemical Identifiers
| CAS Number | 126263-37-4 |
|---|---|
| SMILES | CC1=C([N+](=CN1C(CCSC)C(=O)O)[O-])C |
Product Overview
1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide (CAS 126263-37-4), with molecular formula C10H16N2O3S and molecular weight 244.09 g/mol. IUPAC: 2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide
Property Insights of 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide
The XLogP value of 1.11714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide. Following Lipinski's Rule of Five, 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide has 1 hydrogen bond donor(s) and 3 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 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide?
The CAS number of 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide is 126263-37-4.
What is the molecular formula of 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide?
The molecular formula of 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide is C10H16N2O3S.
What is the molecular weight of 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide?
The molecular weight of 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide is 244.09 g/mol.
Where can I buy 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide?
You can request a quote for 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-carboxy-3-(methylthio)propyl)-4,5-dimethyl-1H-imidazole 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.