![{3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate structure](/static/products/5654/565415-86-3.webp)
{3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate
TL;DR: {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 565415-86-3) is a chemical compound with molecular formula C21H15NO4S and molecular weight 377.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxobenzo[f]chromen-1-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate, (3-oxobenzo[f]chromen-1-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C21H15NO4S |
|---|---|
| Molecular Weight | 377.07 g/mol |
| LogP | 4.4201 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.07217 |
| Heavy Atoms | 27 |
| Complexity | 1215.6652 |
Chemical Identifiers
| CAS Number | 565415-86-3 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3 |
Product Overview
{3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 565415-86-3), with molecular formula C21H15NO4S and molecular weight 377.07 g/mol. IUPAC: (3-oxobenzo[f]chromen-1-yl)methyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate
Property Insights of {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate
The XLogP value of 4.4201 indicates that {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate. Following Lipinski's Rule of Five, {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate has 0 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 {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The CAS number of {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 565415-86-3.
What is the molecular formula of {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular formula of {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate is C21H15NO4S.
What is the molecular weight of {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular weight of {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 377.07 g/mol.
Where can I buy {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
You can request a quote for {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for {3-oxo-3H-benzo[f]chromen-1-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.