4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol
TL;DR: 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol (CAS 129661-59-2) is a chemical compound with molecular formula C11H10N4O3 and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-methyl-5-nitroimidazol-2-yl)methylideneamino]phenol
Also Known As: 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol, 4-[(E)-(3-methyl-4-nitro-1H-imidazol-2-ylidene)methyl]iminocyclohexa-2,5-dien-1-one
| Molecular Formula | C11H10N4O3 |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.07529 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 129661-59-2 |
|---|---|
| SMILES | CN1C(=CN=C1C=NC2=CC=C(C=C2)O)[N+](=O)[O-] |
| InChIKey | JYMLHWOHOSLLAE-UHFFFAOYSA-N |
Product Overview
4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol (CAS 129661-59-2), with molecular formula C11H10N4O3 and molecular weight 246.08 g/mol. IUPAC: 4-[(1-methyl-5-nitroimidazol-2-yl)methylideneamino]phenol.
Chemical Property Profile of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol
Property Insights of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol. Following Lipinski's Rule of Five, 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol has 1 hydrogen bond donor(s) and 5 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-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol?
The CAS number of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol is 129661-59-2.
What is the molecular formula of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol?
The molecular formula of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol is C11H10N4O3.
What is the molecular weight of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol?
The molecular weight of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol is 246.08 g/mol.
Where can I buy 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol?
You can request a quote for 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.