![N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide structure](/static/products/404/404852-99-9.png)
N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
TL;DR: N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide (CAS 404852-99-9) is a chemical compound with molecular formula C21H17F3IN3OS and molecular weight 543.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-iodo-2-methylphenyl)-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide
Also Known As: N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide, N-(4-iodo-2-methyl-phenyl)-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide, N-(4-iodo-2-methylphenyl)-3-(((4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)methyl)benzamide, N-(4-iodo-2-methylphenyl)-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide
| Molecular Formula | C21H17F3IN3OS |
|---|---|
| Molecular Weight | 543.01 g/mol |
| LogP | 6.26144 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.0089 |
| Heavy Atoms | 30 |
| Complexity | 1089.332 |
Chemical Identifiers
| CAS Number | 404852-99-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=CC(=CC=C2)C(=O)NC3=C(C=C(C=C3)I)C)C(F)(F)F |
Product Overview
N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide (CAS 404852-99-9), with molecular formula C21H17F3IN3OS and molecular weight 543.01 g/mol. IUPAC: N-(4-iodo-2-methylphenyl)-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide.
Chemical Property Profile of N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Property Insights of N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
The XLogP value of 6.26144 indicates that N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide has 1 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 N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide?
The CAS number of N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide is 404852-99-9.
What is the molecular formula of N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide?
The molecular formula of N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide is C21H17F3IN3OS.
What is the molecular weight of N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide?
The molecular weight of N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide is 543.01 g/mol.
Where can I buy N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide?
You can request a quote for N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-iodo-2-methylphenyl)-3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.