1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol
TL;DR: 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol (CAS 115906-37-1) is a chemical compound with molecular formula C8H13N3O4S and molecular weight 247.06268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propan-2-ol
Also Known As: CBKinase1_000283, CBKinase1_012683, NIOSH/UB7876520, BRD-A01673634-001-01-2, 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol
Technical Specifications
| Molecular Formula | C8H13N3O4S |
| Molecular Weight | 247.06268 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.06268 Da |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
| SMILES | CC1=NC(=C(N1)[N+](=O)[O-])SCC(COC)O |
| InChIKey | WKFNVEYGFFSVQG-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol
Property Insights of 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol. Following Lipinski's Rule of Five, 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol?
The CAS number of 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol is 115906-37-1.
What is the molecular formula of 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol?
The molecular formula of 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol is C8H13N3O4S.
What is the molecular weight of 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol?
The molecular weight of 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol is 247.06268 g/mol.
Where can I buy 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol?
You can request a quote for 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol?
Yes, CoreyChem provides custom synthesis services for 1-Methoxy-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.