![[4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate structure](/static/products/877/877636-25-4.png)
[4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate
TL;DR: [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate (CAS 877636-25-4) is a chemical compound with molecular formula C17H10ClFN2O4S and molecular weight 392.00 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] 2-chloro-6-fluorobenzoate
Also Known As: AB00687542-01, F2510-0109, [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate, 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-chloro-6-fluorobenzoate, 4-oxo-6-[(pyrimidin-2-ylsulfanyl)methyl]-4H-pyran-3-yl 2-chloro-6-fluorobenzoate
| Molecular Formula | C17H10ClFN2O4S |
|---|---|
| Molecular Weight | 392.00 g/mol |
| LogP | 3.7338 |
| Topological Polar Surface Area | 82.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0034 |
| Heavy Atoms | 26 |
| Complexity | 977.3031 |
Chemical Identifiers
| CAS Number | 877636-25-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3)F |
Product Overview
[4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate (CAS 877636-25-4), with molecular formula C17H10ClFN2O4S and molecular weight 392.00 g/mol. IUPAC: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate.
Chemical Property Profile of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate
Property Insights of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate
The XLogP value of 3.7338 indicates that [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate. Following Lipinski's Rule of Five, [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate has 0 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 [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate?
The CAS number of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate is 877636-25-4.
What is the molecular formula of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate?
The molecular formula of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate is C17H10ClFN2O4S.
What is the molecular weight of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate?
The molecular weight of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate is 392.00 g/mol.
Where can I buy [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate?
You can request a quote for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate 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-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-6-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.