![Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/2717/271772-68-0.webp)
Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 271772-68-0) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: BAS 07023747, ethyl 4-({2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl}amino)benzoate, ethyl 4-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)benzoate, ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, ethyl 4-({2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}amino)benzoate
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 271772-68-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C |
| InChIKey | DYOBJNRJKWETSR-UHFFFAOYSA-N |
Product Overview
Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 271772-68-0), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: ethyl 4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 3.0 indicates that Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate has 1 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 Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is 271772-68-0.
What is the molecular formula of Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is C17H19N3O3S.
What is the molecular weight of Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is 345.11 g/mol.
Where can I buy Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.