1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-
TL;DR: 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)- (CAS 55702-44-8) is a chemical compound with molecular formula C13H14F3N3O2 and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)benzimidazole
Also Known As: Trifluralin metabolite, 4'Demethyldeoxypodophyllotoxin, 2-Ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-1H-benzimidazole, 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-, 1H-Benzimidazole,2-ethyl-7-nitro-1-propyl-5- -
| Molecular Formula | C13H14F3N3O2 |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.10382 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 55702-44-8 |
|---|---|
| SMILES | CCCN1C(=NC2=C1C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])CC |
| InChIKey | NBCHQZJRNHOSCM-UHFFFAOYSA-N |
Product Overview
1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)- (CAS 55702-44-8), with molecular formula C13H14F3N3O2 and molecular weight 301.10 g/mol. IUPAC: 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)benzimidazole.
Chemical Property Profile of 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-
Property Insights of 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-
The XLogP value of 3.8 indicates that 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-. Following Lipinski's Rule of Five, 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)- 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 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-?
The CAS number of 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)- is 55702-44-8.
What is the molecular formula of 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-?
The molecular formula of 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)- is C13H14F3N3O2.
What is the molecular weight of 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-?
The molecular weight of 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)- is 301.10 g/mol.
Where can I buy 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-?
You can request a quote for 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.