methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate
TL;DR: methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate (CAS 898445-71-1) is a chemical compound with molecular formula C12H12N2O4S and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate
Also Known As: methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate, F2585-0232, methyl 5-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate, methyl 5-{[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]methyl}furan-2-carboxylate
| Molecular Formula | C12H12N2O4S |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 1.75022 |
| Topological Polar Surface Area | 85.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.0518 |
| Heavy Atoms | 19 |
| Complexity | 647.1741 |
Chemical Identifiers
| CAS Number | 898445-71-1 |
|---|---|
| SMILES | CC1=CC(=NC(=O)N1)SCC2=CC=C(O2)C(=O)OC |
Product Overview
methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate (CAS 898445-71-1), with molecular formula C12H12N2O4S and molecular weight 280.05 g/mol. IUPAC: methyl 5-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate
Property Insights of methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate
The XLogP value of 1.75022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate. The TPSA of 85.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate has 1 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 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate?
The CAS number of methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate is 898445-71-1.
What is the molecular formula of methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate?
The molecular formula of methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate is C12H12N2O4S.
What is the molecular weight of methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate?
The molecular weight of methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate is 280.05 g/mol.
Where can I buy methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate?
You can request a quote for methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)methyl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.