3J-339S
TL;DR: 3J-339S (CAS 338410-69-8) is a chemical compound with molecular formula C23H20F3N3O2S and molecular weight 459.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
Also Known As: 3J-339S, N-(1-benzyl-5,6-dimethyl-1H-1,3-benzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide, N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide, N-(1-benzyl-5,6-dimethyl-1H-1,3-benzodiazol-4-yl)-3-(trifluoromethyl)benzene-1-sulfonamide, N-(1-benzyl-5,6-dimethyl-1,3-benzodiazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
| Molecular Formula | C23H20F3N3O2S |
|---|---|
| Molecular Weight | 459.12 g/mol |
| LogP | 5.52104 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.12283 |
| Heavy Atoms | 32 |
| Complexity | 1395.5267 |
Chemical Identifiers
| CAS Number | 338410-69-8 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1C)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)N=CN2CC4=CC=CC=C4 |
Product Overview
3J-339S (CAS 338410-69-8), with molecular formula C23H20F3N3O2S and molecular weight 459.12 g/mol. IUPAC: N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide.
Chemical Property Profile of 3J-339S
Property Insights of 3J-339S
The XLogP value of 5.52104 indicates that 3J-339S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3J-339S. Following Lipinski's Rule of Five, 3J-339S has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3J-339S?
The CAS number of 3J-339S is 338410-69-8.
What is the molecular formula of 3J-339S?
The molecular formula of 3J-339S is C23H20F3N3O2S.
What is the molecular weight of 3J-339S?
The molecular weight of 3J-339S is 459.12 g/mol.
Where can I buy 3J-339S?
You can request a quote for 3J-339S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-339S?
Yes, KEHONG BIO provides custom synthesis services for 3J-339S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.