N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
TL;DR: N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CAS 667872-29-9) is a chemical compound with molecular formula C16H18BrN3OS and molecular weight 379.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
Also Known As: AO-081/41456621, N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide, N-(2-bromo-4,5-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C16H18BrN3OS |
|---|---|
| Molecular Weight | 379.04 g/mol |
| LogP | 4.20358 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.0354 |
| Heavy Atoms | 22 |
| Complexity | 698.52734 |
Chemical Identifiers
| CAS Number | 667872-29-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NC(=CC(=N2)C)C |
Product Overview
N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CAS 667872-29-9), with molecular formula C16H18BrN3OS and molecular weight 379.04 g/mol. IUPAC: N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
Property Insights of N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
The XLogP value of 4.20358 indicates that N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide 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-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has 1 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 N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The CAS number of N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is 667872-29-9.
What is the molecular formula of N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The molecular formula of N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is C16H18BrN3OS.
What is the molecular weight of N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The molecular weight of N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is 379.04 g/mol.
Where can I buy N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
You can request a quote for N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.