8J-321S
TL;DR: 8J-321S (CAS 339100-44-6) is a chemical compound with molecular formula C23H18F3N3OS and molecular weight 441.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 8J-321S, 2-{2-[(phenylsulfanyl)methyl]-1H-1,3-benzimidazol-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[2-(phenylsulfanylmethyl)benzoimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-((2-(Phenylsulfanyl)methyl)-1H-1,3-benzimidazol-1-yl)-N-(3-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C23H18F3N3OS |
|---|---|
| Molecular Weight | 441.11 g/mol |
| LogP | 5.9861 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.11227 |
| Heavy Atoms | 31 |
| Complexity | 1205.6488 |
Chemical Identifiers
| CAS Number | 339100-44-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=NC3=CC=CC=C3N2CC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
8J-321S (CAS 339100-44-6), with molecular formula C23H18F3N3OS and molecular weight 441.11 g/mol. IUPAC: 2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 8J-321S
Property Insights of 8J-321S
The XLogP value of 5.9861 indicates that 8J-321S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 8J-321S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8J-321S 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 8J-321S?
The CAS number of 8J-321S is 339100-44-6.
What is the molecular formula of 8J-321S?
The molecular formula of 8J-321S is C23H18F3N3OS.
What is the molecular weight of 8J-321S?
The molecular weight of 8J-321S is 441.11 g/mol.
Where can I buy 8J-321S?
You can request a quote for 8J-321S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8J-321S?
Yes, KEHONG BIO provides custom synthesis services for 8J-321S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.