11F-401S
TL;DR: 11F-401S (CAS 303149-40-8) is a chemical compound with molecular formula C21H13ClF3N3O3 and molecular weight 447.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)-6-nitro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
Also Known As: 11F-401S, 2-(3-chlorophenyl)-6-nitro-1-{[3-(trifluoromethyl)benzyl]oxy}-1H-1,3-benzimidazole, 2-(3-chlorophenyl)-6-nitro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole, 2-(3-chlorophenyl)-6-nitro-1-{[3-(trifluoromethyl)phenyl]methoxy}-1H-1,3-benzodiazole, 2-(3-chlorophenyl)-6-nitro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzoimidazole
| Molecular Formula | C21H13ClF3N3O3 |
|---|---|
| Molecular Weight | 447.06 g/mol |
| LogP | 5.9125 |
| Topological Polar Surface Area | 70.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.05975 |
| Heavy Atoms | 31 |
| Complexity | 1287.8368 |
Chemical Identifiers
| CAS Number | 303149-40-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CON2C3=C(C=CC(=C3)[N+](=O)[O-])N=C2C4=CC(=CC=C4)Cl |
Product Overview
11F-401S (CAS 303149-40-8), with molecular formula C21H13ClF3N3O3 and molecular weight 447.06 g/mol. IUPAC: 2-(3-chlorophenyl)-6-nitro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole.
Chemical Property Profile of 11F-401S
Property Insights of 11F-401S
The XLogP value of 5.9125 indicates that 11F-401S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 11F-401S. Following Lipinski's Rule of Five, 11F-401S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11F-401S?
The CAS number of 11F-401S is 303149-40-8.
What is the molecular formula of 11F-401S?
The molecular formula of 11F-401S is C21H13ClF3N3O3.
What is the molecular weight of 11F-401S?
The molecular weight of 11F-401S is 447.06 g/mol.
Where can I buy 11F-401S?
You can request a quote for 11F-401S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11F-401S?
Yes, KEHONG BIO provides custom synthesis services for 11F-401S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.