2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine
TL;DR: 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine (CAS 104445-28-5) is a chemical compound with molecular formula C9H14N4O5 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(hydroxymethyl)-2-(1-methyl-5-nitroimidazol-2-yl)-1,3-oxazolidin-4-yl]methanol
Also Known As: Benzaldehyd)-5-tetrazolylhydrazon, 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine, 2-(1-Methyl-5-nitro-1H-imidazol-2-yl)-4,4-oxazolidinedimethanol, [4-(hydroxymethyl)-2-(1-methyl-5-nitroimidazol-2-yl)-1,3-oxazolidin-4-yl]methanol, 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis-(hydroxymethyl)-oxazolidine
| Molecular Formula | C9H14N4O5 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0964 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 104445-28-5 |
|---|---|
| SMILES | CN1C(=CN=C1C2NC(CO2)(CO)CO)[N+](=O)[O-] |
| InChIKey | WOIDLDGHYKJEER-UHFFFAOYSA-N |
Product Overview
2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine (CAS 104445-28-5), with molecular formula C9H14N4O5 and molecular weight 258.10 g/mol. IUPAC: [4-(hydroxymethyl)-2-(1-methyl-5-nitroimidazol-2-yl)-1,3-oxazolidin-4-yl]methanol.
Chemical Property Profile of 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine
Property Insights of 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine
The XLogP value of -2.1 indicates that 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine. Following Lipinski's Rule of Five, 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine has 3 hydrogen bond donor(s) and 7 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-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine?
The CAS number of 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine is 104445-28-5.
What is the molecular formula of 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine?
The molecular formula of 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine is C9H14N4O5.
What is the molecular weight of 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine?
The molecular weight of 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine is 258.10 g/mol.
Where can I buy 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine?
You can request a quote for 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.