![Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate structure](/static/products/845/845879-36-9.png)
Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate
TL;DR: Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate (CAS 845879-36-9) is a chemical compound with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-methyl-5-nitrophenyl)methylsulfanyl]benzimidazole-1-carboxylate
Also Known As: Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate, AI-067/31573003, Ethyl 2-(2-methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole-1-carboxylate, ethyl 2-({5-nitro-2-methylbenzyl}sulfanyl)-1H-benzimidazole-1-carboxylate, ethyl 2-[(2-methyl-5-nitrophenyl)methylsulfanyl]benzimidazole-1-carboxylate
| Molecular Formula | C18H17N3O4S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 4.54982 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.09396 |
| Heavy Atoms | 26 |
| Complexity | 983.7267 |
Chemical Identifiers
| CAS Number | 845879-36-9 |
|---|---|
| SMILES | CCOC(=O)N1C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])C |
Product Overview
Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate (CAS 845879-36-9), with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol. IUPAC: ethyl 2-[(2-methyl-5-nitrophenyl)methylsulfanyl]benzimidazole-1-carboxylate.
Chemical Property Profile of Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate
Property Insights of Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate
The XLogP value of 4.54982 indicates that Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate has 0 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 Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate?
The CAS number of Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate is 845879-36-9.
What is the molecular formula of Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate?
The molecular formula of Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate is C18H17N3O4S.
What is the molecular weight of Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate?
The molecular weight of Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate is 371.09 g/mol.
Where can I buy Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate?
You can request a quote for Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((2-methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.