![2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole structure](/static/products/4759/475977-79-8.webp)
2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole
TL;DR: 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole (CAS 475977-79-8) is a chemical compound with molecular formula C14H10N4O4S and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dinitrophenyl)methylsulfanyl]-1H-benzimidazole
Also Known As: 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole, 2-[(2,4-dinitrophenyl)methylsulfanyl]-1H-benzimidazole, 2- -1H-BENZO[D]IMIDAZOLE, 2,6-DIMETHY-D-PHENYLALANINE, 2-(2,4-Dinitrobenzylthio)-1H-benzoimidazole
| Molecular Formula | C14H10N4O4S |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 3.6716 |
| Topological Polar Surface Area | 114.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.04227 |
| Heavy Atoms | 23 |
| Complexity | 875.6836 |
Chemical Identifiers
| CAS Number | 475977-79-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole (CAS 475977-79-8), with molecular formula C14H10N4O4S and molecular weight 330.04 g/mol. IUPAC: 2-[(2,4-dinitrophenyl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole
Property Insights of 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole
The XLogP value of 3.6716 indicates that 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole. Following Lipinski's Rule of Five, 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole has 1 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 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole?
The CAS number of 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole is 475977-79-8.
What is the molecular formula of 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole?
The molecular formula of 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole is C14H10N4O4S.
What is the molecular weight of 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole?
The molecular weight of 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole is 330.04 g/mol.
Where can I buy 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole?
You can request a quote for 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dinitrobenzylthio)-1H-benzo[d]imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.