![methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate structure](/static/products/905/905692-11-7.png)
methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate
TL;DR: methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate (CAS 905692-11-7) is a chemical compound with molecular formula C15H15N3O4S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: F2585-0168, methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate, methyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate, methyl 4-({[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio]acetyl}amino)benzoate, methyl 4-(2-((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)acetamido)benzoate
| Molecular Formula | C15H15N3O4S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 1.59572 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.07834 |
| Heavy Atoms | 23 |
| Complexity | 771.0366 |
Chemical Identifiers
| CAS Number | 905692-11-7 |
|---|---|
| SMILES | CC1=CC(=NC(=O)N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC |
Product Overview
methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate (CAS 905692-11-7), with molecular formula C15H15N3O4S and molecular weight 333.08 g/mol. IUPAC: methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate
Property Insights of methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate
The XLogP value of 1.59572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-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-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate?
The CAS number of methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate is 905692-11-7.
What is the molecular formula of methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate?
The molecular formula of methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate is C15H15N3O4S.
What is the molecular weight of methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate?
The molecular weight of methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate is 333.08 g/mol.
Where can I buy methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate?
You can request a quote for methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-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-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.