2-Chloromethyl-6-nitro-1H-benzoimidazole
TL;DR: 2-Chloromethyl-6-nitro-1H-benzoimidazole (CAS 14625-39-9) is a chemical compound with molecular formula C8H6ClN3O2 and molecular weight 211.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-6-nitro-1H-benzimidazole
Also Known As: 2-(CHLOROMETHYL)-6-NITRO-1H-BENZO[D]IMIDAZOLE, 2-(chloromethyl)-5-nitro-1H-benzimidazole, 2-CHLOROMETHYL-6-NITRO-1H-BENZOIMIDAZOLE, 2-(chloromethyl)-6-nitro-1H-benzimidazole, 1H-Benzimidazole, 2-(chloromethyl)-6-nitro-
| Molecular Formula | C8H6ClN3O2 |
|---|---|
| Molecular Weight | 211.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.01485 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 14625-39-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CCl |
| InChIKey | ZGYRZVYKZIVFSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloromethyl-6-nitro-1H-benzoimidazole (CAS 14625-39-9), with molecular formula C8H6ClN3O2 and molecular weight 211.01 g/mol. IUPAC: 2-(chloromethyl)-6-nitro-1H-benzimidazole.
Chemical Property Profile of 2-Chloromethyl-6-nitro-1H-benzoimidazole
Property Insights of 2-Chloromethyl-6-nitro-1H-benzoimidazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloromethyl-6-nitro-1H-benzoimidazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloromethyl-6-nitro-1H-benzoimidazole. Following Lipinski's Rule of Five, 2-Chloromethyl-6-nitro-1H-benzoimidazole has 1 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 2-Chloromethyl-6-nitro-1H-benzoimidazole?
The CAS number of 2-Chloromethyl-6-nitro-1H-benzoimidazole is 14625-39-9.
What is the molecular formula of 2-Chloromethyl-6-nitro-1H-benzoimidazole?
The molecular formula of 2-Chloromethyl-6-nitro-1H-benzoimidazole is C8H6ClN3O2.
What is the molecular weight of 2-Chloromethyl-6-nitro-1H-benzoimidazole?
The molecular weight of 2-Chloromethyl-6-nitro-1H-benzoimidazole is 211.01 g/mol.
Where can I buy 2-Chloromethyl-6-nitro-1H-benzoimidazole?
You can request a quote for 2-Chloromethyl-6-nitro-1H-benzoimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloromethyl-6-nitro-1H-benzoimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloromethyl-6-nitro-1H-benzoimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.