4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate
TL;DR: 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate (CAS 877636-75-4) is a chemical compound with molecular formula C21H14N2O4S and molecular weight 390.07 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] naphthalene-2-carboxylate
Also Known As: AB00687550-01, F2510-0157, 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate, 4-oxo-6-[(pyrimidin-2-ylsulfanyl)methyl]-4H-pyran-3-yl naphthalene-2-carboxylate, [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] naphthalene-2-carboxylate
| Molecular Formula | C21H14N2O4S |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 4.0945 |
| Topological Polar Surface Area | 82.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.0674 |
| Heavy Atoms | 28 |
| Complexity | 1191.6279 |
Chemical Identifiers
| CAS Number | 877636-75-4 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)OC3=COC(=CC3=O)CSC4=NC=CC=N4 |
Product Overview
4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate (CAS 877636-75-4), with molecular formula C21H14N2O4S and molecular weight 390.07 g/mol. IUPAC: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] naphthalene-2-carboxylate.
Chemical Property Profile of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate
Property Insights of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate
The XLogP value of 4.0945 indicates that 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate 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-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate. Following Lipinski's Rule of Five, 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate 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-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate?
The CAS number of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate is 877636-75-4.
What is the molecular formula of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate?
The molecular formula of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate is C21H14N2O4S.
What is the molecular weight of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate?
The molecular weight of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate is 390.07 g/mol.
Where can I buy 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate?
You can request a quote for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate 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 2-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.