3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol
TL;DR: 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol (CAS 303013-82-3) is a chemical compound with molecular formula C12H20N4O3S and molecular weight 300.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-3-piperidin-1-ylpropan-2-ol
Also Known As: BAS 00288677, AE-848/31943051, 3-(1-methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol, 1-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-3-piperidin-1-ylpropan-2-ol, 1-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-3-(piperidin-1-yl)propan-2-ol
| Molecular Formula | C12H20N4O3S |
|---|---|
| Molecular Weight | 300.13 g/mol |
| LogP | 1.2672 |
| Topological Polar Surface Area | 84.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.1256 |
| Heavy Atoms | 20 |
| Complexity | 459.55496 |
Chemical Identifiers
| CAS Number | 303013-82-3 |
|---|---|
| SMILES | CN1C=NC(=C1SCC(CN2CCCCC2)O)[N+](=O)[O-] |
Product Overview
3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol (CAS 303013-82-3), with molecular formula C12H20N4O3S and molecular weight 300.13 g/mol. IUPAC: 1-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-3-piperidin-1-ylpropan-2-ol.
Chemical Property Profile of 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol
Property Insights of 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol
The XLogP value of 1.2672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol. The TPSA of 84.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol. Following Lipinski's Rule of Five, 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol 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 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol?
The CAS number of 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol is 303013-82-3.
What is the molecular formula of 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol?
The molecular formula of 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol is C12H20N4O3S.
What is the molecular weight of 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol?
The molecular weight of 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol is 300.13 g/mol.
Where can I buy 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol?
You can request a quote for 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Methyl-4-nitroimidazol-5-ylthio)-1-piperidylpropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.