![(6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate structure](/static/products/7915/791598-65-7.webp)
(6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate
TL;DR: (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate (CAS 791598-65-7) is a chemical compound with molecular formula C22H18FNO4S and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0006958, (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate, (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylpyridine-3-carboxylate, (6-fluoro-2-phenyl-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C22H18FNO4S |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 4.9074 |
| Topological Polar Surface Area | 57.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.09406 |
| Heavy Atoms | 29 |
| Complexity | 1028.5758 |
Chemical Identifiers
| CAS Number | 791598-65-7 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC2=CC(=CC3=C2OC(OC3)C4=CC=CC=C4)F |
Product Overview
(6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate (CAS 791598-65-7), with molecular formula C22H18FNO4S and molecular weight 411.09 g/mol. IUPAC: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate
Property Insights of (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate
The XLogP value of 4.9074 indicates that (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.65 Ų, (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate 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 (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate?
The CAS number of (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate is 791598-65-7.
What is the molecular formula of (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate?
The molecular formula of (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate is C22H18FNO4S.
What is the molecular weight of (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate?
The molecular weight of (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate is 411.09 g/mol.
Where can I buy (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate?
You can request a quote for (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for (6-Fluoro-2-phenyl-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.