2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole
TL;DR: 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole (CAS 20443-39-4) is a chemical compound with molecular formula C9H8ClN3O2 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-1-methyl-5-nitrobenzimidazole
Also Known As: 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole, chloromethylmethylnitrobenzodiazole, 2-(chloromethyl)-1-methyl-5-nitrobenzimidazole, 6919AD, 2-(Chloromethyl)-1-methyl-5-nitro-1H-benzimidazole
| Molecular Formula | C9H8ClN3O2 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.0305 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 20443-39-4 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCl |
| InChIKey | CHNOXQSJGAMOSS-UHFFFAOYSA-N |
Product Overview
2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole (CAS 20443-39-4), with molecular formula C9H8ClN3O2 and molecular weight 225.03 g/mol. IUPAC: 2-(chloromethyl)-1-methyl-5-nitrobenzimidazole.
Chemical Property Profile of 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole
Property Insights of 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole. Following Lipinski's Rule of Five, 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole 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 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole?
The CAS number of 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole is 20443-39-4.
What is the molecular formula of 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole?
The molecular formula of 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole is C9H8ClN3O2.
What is the molecular weight of 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole?
The molecular weight of 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole is 225.03 g/mol.
Where can I buy 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole?
You can request a quote for 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(chloromethyl)-1-methyl-5-nitro-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.