![methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/824/824979-32-0.png)
methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 824979-32-0) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, methyl 4-(2-((6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acetamido)benzoate, METHYL 4-({2-[(6-OXO-4-PHENYL-1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)SULFANYL]ACETYL}AMINO)BENZOATE, methyl 4-[[2-[(6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate, METHYL 4-{2-[(4-OXO-6-PHENYL-5,6-DIHYDRO-3H-PYRIMIDIN-2-YL)SULFANYL]ACETAMIDO}BENZOATE
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.7621 |
| Topological Polar Surface Area | 96.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 897.42664 |
Chemical Identifiers
| CAS Number | 824979-32-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(CC(=O)N2)C3=CC=CC=C3 |
Product Overview
methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 824979-32-0), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: methyl 4-[[2-[(6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 2.7621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate. The TPSA of 96.86 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)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 methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is 824979-32-0.
What is the molecular formula of methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is C20H19N3O4S.
What is the molecular weight of methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is 397.11 g/mol.
Where can I buy methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-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 methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.