![2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole structure](/static/products/846/84669-79-4.png)
2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole
TL;DR: 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole (CAS 84669-79-4) is a chemical compound with molecular formula C16H14N4O4S and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)sulfanyl-1-propylbenzimidazole
Also Known As: 2-(2,4-dinitrophenyl)sulfanyl-1-propylbenzimidazole, 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole, AB00710593-01, F0371-0082, 2-[(2,4-dinitrophenyl)sulfanyl]-1-propyl-1H-1,3-benzodiazole
| Molecular Formula | C16H14N4O4S |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.07358 |
| Heavy Atoms | 25 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 84669-79-4 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JHYHCAJBMDNIDM-UHFFFAOYSA-N |
Product Overview
2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole (CAS 84669-79-4), with molecular formula C16H14N4O4S and molecular weight 358.07 g/mol. IUPAC: 2-(2,4-dinitrophenyl)sulfanyl-1-propylbenzimidazole.
Chemical Property Profile of 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole
Property Insights of 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole
The XLogP value of 4.3 indicates that 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole. Following Lipinski's Rule of Five, 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole 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 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole?
The CAS number of 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole is 84669-79-4.
What is the molecular formula of 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole?
The molecular formula of 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole is C16H14N4O4S.
What is the molecular weight of 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole?
The molecular weight of 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole is 358.07 g/mol.
Where can I buy 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole?
You can request a quote for 2-((2,4-dinitrophenyl)thio)-1-propyl-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-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,4-dinitrophenyl)thio)-1-propyl-1H-benzo[d]imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.