2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate
TL;DR: 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate (CAS 696649-31-7) is a chemical compound with molecular formula C14H13ClN4O5 and molecular weight 352.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-2-nitroimidazol-1-yl)ethyl N-(2-chlorobenzoyl)carbamate
Also Known As: 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate, A3469/0147046, Carbamic acid, (2-chlorobenzoyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl (2-chlorobenzoyl)carbamate, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl N-(2-chlorobenzoyl)carbamate
| Molecular Formula | C14H13ClN4O5 |
|---|---|
| Molecular Weight | 352.06 g/mol |
| LogP | 2.31972 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.05743 |
| Heavy Atoms | 24 |
| Complexity | 789.22205 |
Chemical Identifiers
| CAS Number | 696649-31-7 |
|---|---|
| SMILES | CC1=CN=C(N1CCOC(=O)NC(=O)C2=CC=CC=C2Cl)[N+](=O)[O-] |
Product Overview
2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate (CAS 696649-31-7), with molecular formula C14H13ClN4O5 and molecular weight 352.06 g/mol. IUPAC: 2-(5-methyl-2-nitroimidazol-1-yl)ethyl N-(2-chlorobenzoyl)carbamate.
Chemical Property Profile of 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate
Property Insights of 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate
The XLogP value of 2.31972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate. Following Lipinski's Rule of Five, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate has 1 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 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate?
The CAS number of 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate is 696649-31-7.
What is the molecular formula of 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate?
The molecular formula of 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate is C14H13ClN4O5.
What is the molecular weight of 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate?
The molecular weight of 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate is 352.06 g/mol.
Where can I buy 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate?
You can request a quote for 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 2-chlorobenzoylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.