1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole
TL;DR: 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole (CAS 56894-29-2) is a chemical compound with molecular formula C7H10ClN3O2 and molecular weight 203.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloropropyl)-2-methyl-5-nitroimidazole
Also Known As: 1-(3-Chloropropyl)-2-methyl-5-nitro-1H-imidazole, 1-(3-chloropropyl)-2-methyl-5-nitroimidazole, 1- -2-methyl-5-nitro-1H-imidazole, methyl 2-(2H-tetrazol-5-yl)benzoate, 1H-Imidazole, 1-(3-chloropropyl)-2-methyl-5-nitro-
| Molecular Formula | C7H10ClN3O2 |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.04616 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 56894-29-2 |
|---|---|
| SMILES | CC1=NC=C(N1CCCCl)[N+](=O)[O-] |
| InChIKey | JCQFIQJFPHTLGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole (CAS 56894-29-2), with molecular formula C7H10ClN3O2 and molecular weight 203.05 g/mol. IUPAC: 1-(3-chloropropyl)-2-methyl-5-nitroimidazole.
Chemical Property Profile of 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole
Property Insights of 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole. Following Lipinski's Rule of Five, 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole has 0 hydrogen bond donor(s) and 3 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 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole?
The CAS number of 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole is 56894-29-2.
What is the molecular formula of 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole?
The molecular formula of 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole is C7H10ClN3O2.
What is the molecular weight of 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole?
The molecular weight of 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole is 203.05 g/mol.
Where can I buy 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole?
You can request a quote for 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.