RefChem:79702
TL;DR: RefChem:79702 (CAS 67990-33-4) is a chemical compound with molecular formula C17H16BrF3N2 and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1,2-dimethyl-5-(trifluoromethyl)benzimidazol-1-ium bromide
Also Known As: 3-Benzyl-1,2-dimethyl-5-trifluoromethylbenzimidazolium bromide, 1,2-Dimethyl-3-(benzyl)-5-(trifluoromethyl)-1H-benzimidazolium bromide, 1H-Benzimidazolium, 1,2-dimethyl-3-(phenylmethyl)-5-(trifluoromethyl)-, bromide, 1-benzyl-2,3-dimethyl-6-(trifluoromethyl)-1h-3,1-benzimidazol-3-ium bromide, 1H-Benzimidazolium, 1,2-dimethyl-3-(phenylmethyl)-5-(trifluoromethyl)-, bromide (1:1)
| Molecular Formula | C17H16BrF3N2 |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 0.85 |
| Topological Polar Surface Area | 8.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.0449 |
| Heavy Atoms | 23 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 67990-33-4 |
|---|---|
| SMILES | CC1=[N+](C2=C(N1CC3=CC=CC=C3)C=C(C=C2)C(F)(F)F)C.[Br-] |
| InChIKey | LGNCYVAORGWGQP-UHFFFAOYSA-M |
Product Overview
RefChem:79702 (CAS 67990-33-4), with molecular formula C17H16BrF3N2 and molecular weight 384.04 g/mol. IUPAC: 3-benzyl-1,2-dimethyl-5-(trifluoromethyl)benzimidazol-1-ium bromide.
Chemical Property Profile of RefChem:79702
Property Insights of RefChem:79702
The XLogP value of 0.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79702. With a topological polar surface area (TPSA) of 8.8 Ų, RefChem:79702 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:79702 has 0 hydrogen bond donor(s) and 4 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 RefChem:79702?
The CAS number of RefChem:79702 is 67990-33-4.
What is the molecular formula of RefChem:79702?
The molecular formula of RefChem:79702 is C17H16BrF3N2.
What is the molecular weight of RefChem:79702?
The molecular weight of RefChem:79702 is 384.04 g/mol.
Where can I buy RefChem:79702?
You can request a quote for RefChem:79702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79702?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.