![N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide structure](/static/products/4598/459804-22-9.webp)
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide
TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide (CAS 459804-22-9) is a chemical compound with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: BAS 04360780, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C16H19N3O4S |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 1.2381 |
| Topological Polar Surface Area | 93.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 349.10962 |
| Heavy Atoms | 24 |
| Complexity | 748.09753 |
Chemical Identifiers
| CAS Number | 459804-22-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=CC(=O)N2)OC |
Product Overview
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide (CAS 459804-22-9), with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide
Property Insights of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide
The XLogP value of 1.2381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide. The TPSA of 93.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide has 2 hydrogen bond donor(s) and 6 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-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide?
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide is 459804-22-9.
What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide?
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide is C16H19N3O4S.
What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide?
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide is 349.11 g/mol.
Where can I buy N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide?
You can request a quote for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.