2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
TL;DR: 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- (CAS 115906-38-2) is a chemical compound with molecular formula C8H13N3O4S and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-3-(3-methyl-5-nitroimidazol-4-yl)sulfanylpropan-2-ol
Also Known As: 1-Methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol, 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-, 1-methoxy-3-(3-methyl-5-nitroimidazol-4-yl)sulfanylpropan-2-ol, Propan-2-ol, 1-methoxy-3-(1-methyl-4-nitro-5-imidazolylthio)-, 1-Methoxy-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-2-propanol #
| Molecular Formula | C8H13N3O4S |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.06268 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 115906-38-2 |
|---|---|
| SMILES | CN1C=NC(=C1SCC(COC)O)[N+](=O)[O-] |
| InChIKey | BRBQISRTPPQZGK-UHFFFAOYSA-N |
Product Overview
2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- (CAS 115906-38-2), with molecular formula C8H13N3O4S and molecular weight 247.06 g/mol. IUPAC: 1-methoxy-3-(3-methyl-5-nitroimidazol-4-yl)sulfanylpropan-2-ol.
Chemical Property Profile of 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
Property Insights of 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-. Following Lipinski's Rule of Five, 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- has 1 hydrogen bond donor(s) and 6 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 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The CAS number of 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- is 115906-38-2.
What is the molecular formula of 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The molecular formula of 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- is C8H13N3O4S.
What is the molecular weight of 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The molecular weight of 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- is 247.06 g/mol.
Where can I buy 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
You can request a quote for 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.