Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate
TL;DR: Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate (CAS 866866-13-9) is a chemical compound with molecular formula C22H21N3O6S2 and molecular weight 487.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F1607-0023, ethyl 4-(2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate, ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate, ethyl 4-[[2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C22H21N3O6S2 |
|---|---|
| Molecular Weight | 487.09 g/mol |
| LogP | 2.81862 |
| Topological Polar Surface Area | 135.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.0872 |
| Heavy Atoms | 33 |
| Complexity | 1317.4872 |
Chemical Identifiers
| CAS Number | 866866-13-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate (CAS 866866-13-9), with molecular formula C22H21N3O6S2 and molecular weight 487.09 g/mol. IUPAC: ethyl 4-[[2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate
Property Insights of Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate
The XLogP value of 2.81862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate. The TPSA of 135.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate has 2 hydrogen bond donor(s) and 8 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-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
The CAS number of Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate is 866866-13-9.
What is the molecular formula of Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
The molecular formula of Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate is C22H21N3O6S2.
What is the molecular weight of Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
The molecular weight of Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate is 487.09 g/mol.
Where can I buy Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
You can request a quote for Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)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-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-((6-oxo-5-tosyl-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.