![2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine structure](/static/products/3113/311317-58-5.webp)
2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine
TL;DR: 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine (CAS 311317-58-5) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]pyridine
Also Known As: BAS 01172395, 2-[(4-methoxy-3-nitrobenzyl)sulfanyl]pyridine, 2-[[(4-Methoxy-3-nitrophenyl)methyl]thio]pyridine, 2-((4-methoxy-3-nitrobenzyl)thio)pyridine, 2-({3-nitro-4-methoxybenzyl}sulfanyl)pyridine
| Molecular Formula | C13H12N2O3S |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.05685 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 311317-58-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC2=CC=CC=N2)[N+](=O)[O-] |
| InChIKey | ONPLSEUXJNRPBM-UHFFFAOYSA-N |
Product Overview
2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine (CAS 311317-58-5), with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol. IUPAC: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]pyridine.
Chemical Property Profile of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine
Property Insights of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine
The XLogP value of 3.0 indicates that 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine. Following Lipinski's Rule of Five, 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine has 0 hydrogen bond donor(s) and 5 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 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine?
The CAS number of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine is 311317-58-5.
What is the molecular formula of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine?
The molecular formula of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine is C13H12N2O3S.
What is the molecular weight of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine?
The molecular weight of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine is 276.06 g/mol.
Where can I buy 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine?
You can request a quote for 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.