![methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate structure](/static/products/5545/55455-45-3.webp)
methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate
TL;DR: methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate (CAS 55455-45-3) is a chemical compound with molecular formula C8H12N4O4 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate
Also Known As: methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate, AI-204/33264061, methyl 2-{5-nitro-2-methyl-1H-imidazol-1-yl}ethylcarbamate, Methyl [2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]carbamate
| Molecular Formula | C8H12N4O4 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.08586 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 55455-45-3 |
|---|---|
| SMILES | CC1=NC=C(N1CCNC(=O)OC)[N+](=O)[O-] |
| InChIKey | MEBCWZZVDBDXJT-UHFFFAOYSA-N |
Product Overview
methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate (CAS 55455-45-3), with molecular formula C8H12N4O4 and molecular weight 228.09 g/mol. IUPAC: methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate.
Chemical Property Profile of methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate
Property Insights of methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate. Following Lipinski's Rule of Five, methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate 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 methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate?
The CAS number of methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate is 55455-45-3.
What is the molecular formula of methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate?
The molecular formula of methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate is C8H12N4O4.
What is the molecular weight of methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate?
The molecular weight of methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate is 228.09 g/mol.
Where can I buy methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate?
You can request a quote for methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.