![N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide structure](/static/products/750/750615-00-0.png)
N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide
TL;DR: N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide (CAS 750615-00-0) is a chemical compound with molecular formula C31H36FN3OS and molecular weight 517.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]-4-fluorobenzamide
Also Known As: N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide, N-[1-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]-4-fluorobenzamide, N-{1-[1-(4-tert-butyl-2,6-dimethylbenzyl)-1H-benzimidazol-2-yl]-3-(methylsulfanyl)propyl}-4-fluorobenzamide
| Molecular Formula | C31H36FN3OS |
|---|---|
| Molecular Weight | 517.26 g/mol |
| LogP | 7.36224 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.2563 |
| Heavy Atoms | 37 |
| Complexity | 1379.4883 |
Chemical Identifiers
| CAS Number | 750615-00-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1CN2C3=CC=CC=C3N=C2C(CCSC)NC(=O)C4=CC=C(C=C4)F)C)C(C)(C)C |
Product Overview
N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide (CAS 750615-00-0), with molecular formula C31H36FN3OS and molecular weight 517.26 g/mol. IUPAC: N-[1-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]-4-fluorobenzamide.
Chemical Property Profile of N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide
Property Insights of N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide
The XLogP value of 7.36224 indicates that N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide 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 N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide?
The CAS number of N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide is 750615-00-0.
What is the molecular formula of N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide?
The molecular formula of N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide is C31H36FN3OS.
What is the molecular weight of N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide?
The molecular weight of N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide is 517.26 g/mol.
Where can I buy N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide?
You can request a quote for N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-(1-(4-(tert-butyl)-2,6-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.