2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid
TL;DR: 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid (CAS 41739-23-5) is a chemical compound with molecular formula C9H7ClN2O2 and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-3H-benzimidazole-5-carboxylic acid
Also Known As: 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid, 1,1-Difluoroacetylacetone, 2-(chloromethyl)-1H-1,3-benzodiazole-5-carboxylic acid, BAS 03421919, 2-(chloromethyl)-1H-benzimidazole-5-carboxylic acid
| Molecular Formula | C9H7ClN2O2 |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0196 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 41739-23-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)NC(=N2)CCl |
| InChIKey | RUUZCJOZQGGVGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid (CAS 41739-23-5), with molecular formula C9H7ClN2O2 and molecular weight 210.02 g/mol. IUPAC: 2-(chloromethyl)-3H-benzimidazole-5-carboxylic acid.
Chemical Property Profile of 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid
Property Insights of 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid has 2 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-1H-benzoimidazole-5-carboxylic acid?
The CAS number of 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid is 41739-23-5.
What is the molecular formula of 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid?
The molecular formula of 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid is C9H7ClN2O2.
What is the molecular weight of 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid?
The molecular weight of 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid is 210.02 g/mol.
Where can I buy 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid?
You can request a quote for 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloromethyl-1H-benzoimidazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.