methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate
TL;DR: methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate (CAS 684234-18-2) is a chemical compound with molecular formula C20H18N4O4S and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate, methyl 2-[[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate, methyl 2-({[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
| Molecular Formula | C20H18N4O4S |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 2.3321 |
| Topological Polar Surface Area | 116.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1049 |
| Heavy Atoms | 29 |
| Complexity | 1099.1354 |
Chemical Identifiers
| CAS Number | 684234-18-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N |
Product Overview
methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate (CAS 684234-18-2), with molecular formula C20H18N4O4S and molecular weight 410.10 g/mol. IUPAC: methyl 2-[[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate
Property Insights of methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate
The XLogP value of 2.3321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate. The TPSA of 116.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate has 2 hydrogen bond donor(s) and 7 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 methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
The CAS number of methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate is 684234-18-2.
What is the molecular formula of methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
The molecular formula of methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate is C20H18N4O4S.
What is the molecular weight of methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
The molecular weight of methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate is 410.10 g/mol.
Where can I buy methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
You can request a quote for methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-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 methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.