![ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate structure](/static/products/905/905692-18-4.png)
ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate
TL;DR: ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate (CAS 905692-18-4) is a chemical compound with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate, F2585-0169, ethyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate, ethyl 4-({[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio]acetyl}amino)benzoate, ethyl 4-(2-((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)acetamido)benzoate
| Molecular Formula | C16H17N3O4S |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 1.98582 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.09396 |
| Heavy Atoms | 24 |
| Complexity | 786.65466 |
Chemical Identifiers
| CAS Number | 905692-18-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)NC(=C2)C |
Product Overview
ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate (CAS 905692-18-4), with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol. IUPAC: ethyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate
Property Insights of ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate
The XLogP value of 1.98582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate. Following Lipinski's Rule of Five, ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate 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 ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate?
The CAS number of ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate is 905692-18-4.
What is the molecular formula of ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate?
The molecular formula of ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate is C16H17N3O4S.
What is the molecular weight of ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate?
The molecular weight of ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate is 347.09 g/mol.
Where can I buy ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate?
You can request a quote for ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}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-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.