methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate
TL;DR: methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate (CAS 824976-89-8) is a chemical compound with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetyl]amino]benzoate
Also Known As: methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate, methyl 4-[[2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetyl]amino]benzoate, METHYL 4-(2-{[6-AMINO-1-(3-METHYLPHENYL)-4-OXOPYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)BENZOATE, methyl 4-[({[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-[({[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]thio}acetyl)amino]benzoate
| Molecular Formula | C21H20N4O4S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 2.64052 |
| Topological Polar Surface Area | 116.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.1205 |
| Heavy Atoms | 30 |
| Complexity | 1142.4884 |
Chemical Identifiers
| CAS Number | 824976-89-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)N |
Product Overview
methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate (CAS 824976-89-8), with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol. IUPAC: methyl 4-[[2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate
Property Insights of methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate
The XLogP value of 2.64052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-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 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-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 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
The CAS number of methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate is 824976-89-8.
What is the molecular formula of methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
The molecular formula of methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate is C21H20N4O4S.
What is the molecular weight of methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
The molecular weight of methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate is 424.12 g/mol.
Where can I buy methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
You can request a quote for methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-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 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.