4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate
TL;DR: 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate (CAS 877635-58-0) is a chemical compound with molecular formula C20H18N2O5S and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-propan-2-yloxybenzoate
Also Known As: F2510-0037, [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-propan-2-yloxybenzoate, 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate, 4-oxo-6-[(pyrimidin-2-ylsulfanyl)methyl]-4H-pyran-3-yl 4-(propan-2-yloxy)benzoate, 4-oxo-6-[(2-pyrimidinylthio)methyl]-4H-pyran-3-yl p-isopropoxybenzoate
| Molecular Formula | C20H18N2O5S |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 3.7285 |
| Topological Polar Surface Area | 91.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.09363 |
| Heavy Atoms | 28 |
| Complexity | 987.4828 |
Chemical Identifiers
| CAS Number | 877635-58-0 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3 |
Product Overview
4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate (CAS 877635-58-0), with molecular formula C20H18N2O5S and molecular weight 398.09 g/mol. IUPAC: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-propan-2-yloxybenzoate.
Chemical Property Profile of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate
Property Insights of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate
The XLogP value of 3.7285 indicates that 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate. Following Lipinski's Rule of Five, 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate has 0 hydrogen bond donor(s) and 8 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 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate?
The CAS number of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate is 877635-58-0.
What is the molecular formula of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate?
The molecular formula of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate is C20H18N2O5S.
What is the molecular weight of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate?
The molecular weight of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate is 398.09 g/mol.
Where can I buy 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate?
You can request a quote for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.