2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one
TL;DR: 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one (CAS 120095-64-9) is a chemical compound with molecular formula C6H4Cl3N3O3 and molecular weight 270.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-(1-methyl-4-nitroimidazol-2-yl)ethanone
Also Known As: 1-METHYL-4-NITRO-2-(TRICHLOROACETYL)-1H-IMIDAZOLE, 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethanone, NO2(4)-MeImd(2)-TCA, 2,2,2-trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one, 2,2,2-TRICHLORO-1-(1-METHYL-4-NITROIMIDAZOL-2-YL)ETHANONE
| Molecular Formula | C6H4Cl3N3O3 |
|---|---|
| Molecular Weight | 270.93 g/mol |
| LogP | 1.8812 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.93182 |
| Heavy Atoms | 15 |
| Complexity | 422.992 |
Chemical Identifiers
| CAS Number | 120095-64-9 |
|---|---|
| SMILES | CN1C=C(N=C1C(=O)C(Cl)(Cl)Cl)[N+](=O)[O-] |
Product Overview
2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one (CAS 120095-64-9), with molecular formula C6H4Cl3N3O3 and molecular weight 270.93 g/mol. IUPAC: 2,2,2-trichloro-1-(1-methyl-4-nitroimidazol-2-yl)ethanone.
Chemical Property Profile of 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one
Property Insights of 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one
The XLogP value of 1.8812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one. Following Lipinski's Rule of Five, 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one has 0 hydrogen bond donor(s) and 4 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 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one?
The CAS number of 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one is 120095-64-9.
What is the molecular formula of 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one?
The molecular formula of 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one is C6H4Cl3N3O3.
What is the molecular weight of 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one?
The molecular weight of 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one is 270.93 g/mol.
Where can I buy 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one?
You can request a quote for 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.