(((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol
TL;DR: (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol (CAS 134419-55-9) is a chemical compound with molecular formula C11H17BrN4O4 and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromooxan-3-yl)amino]-3-(2-nitroimidazol-1-yl)propan-2-ol
Also Known As: 4-Bpne, penaresin methyl ester, (((4-Bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol, J1.565.150D, 1-[(4-bromooxan-3-yl)amino]-3-(2-nitroimidazol-1-yl)propan-2-ol
| Molecular Formula | C11H17BrN4O4 |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 0.2942 |
| Topological Polar Surface Area | 102.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.04333 |
| Heavy Atoms | 20 |
| Complexity | 455.38644 |
Chemical Identifiers
| CAS Number | 134419-55-9 |
|---|---|
| SMILES | C1COCC(C1Br)NCC(CN2C=CN=C2[N+](=O)[O-])O |
Product Overview
(((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol (CAS 134419-55-9), with molecular formula C11H17BrN4O4 and molecular weight 348.04 g/mol. IUPAC: 1-[(4-bromooxan-3-yl)amino]-3-(2-nitroimidazol-1-yl)propan-2-ol.
Chemical Property Profile of (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol
Property Insights of (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol
The XLogP value of 0.2942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol. The TPSA of 102.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol. Following Lipinski's Rule of Five, (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol 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
Frequently Asked Questions
What is the CAS number of (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol?
The CAS number of (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol is 134419-55-9.
What is the molecular formula of (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol?
The molecular formula of (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol is C11H17BrN4O4.
What is the molecular weight of (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol?
The molecular weight of (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol is 348.04 g/mol.
Where can I buy (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol?
You can request a quote for (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for (((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.