![(6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate structure](/static/products/5685/568574-97-0.webp)
(6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate
TL;DR: (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate (CAS 568574-97-0) is a chemical compound with molecular formula C16H14N2O6S and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0008516, (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate, (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate, (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C16H14N2O6S |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 2.9352 |
| Topological Polar Surface Area | 100.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.05725 |
| Heavy Atoms | 25 |
| Complexity | 826.2674 |
Chemical Identifiers
| CAS Number | 568574-97-0 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC2=CC(=CC3=C2OCOC3)[N+](=O)[O-] |
Product Overview
(6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate (CAS 568574-97-0), with molecular formula C16H14N2O6S and molecular weight 362.06 g/mol. IUPAC: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate
Property Insights of (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate
The XLogP value of 2.9352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate. The TPSA of 100.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate 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 (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate?
The CAS number of (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate is 568574-97-0.
What is the molecular formula of (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate?
The molecular formula of (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate is C16H14N2O6S.
What is the molecular weight of (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate?
The molecular weight of (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate is 362.06 g/mol.
Where can I buy (6-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate?
You can request a quote for (6-Nitro-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-Nitro-4H-benzo[d][1,3]dioxin-8-yl)methyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for (6-Nitro-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.