4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile
TL;DR: 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile (CAS 331815-76-0) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methoxymethyl)-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile
Also Known As: BAS 00884300, 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile, 4-(methoxymethyl)-6-methyl-2-((4-nitrobenzyl)thio)nicotinonitrile, 4-(methoxymethyl)-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile, 4-(methoxymethyl)-6-methyl-2-[(4-nitrobenzyl)sulfanyl]pyridine-3-carbonitrile
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.6086 |
| Topological Polar Surface Area | 89.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 754.4012 |
Chemical Identifiers
| CAS Number | 331815-76-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C#N)COC |
Product Overview
4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile (CAS 331815-76-0), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: 4-(methoxymethyl)-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile.
Chemical Property Profile of 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile
Property Insights of 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile
The XLogP value of 3.6086 indicates that 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile. Following Lipinski's Rule of Five, 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile 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 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile?
The CAS number of 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile is 331815-76-0.
What is the molecular formula of 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile?
The molecular formula of 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile is C16H15N3O3S.
What is the molecular weight of 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile?
The molecular weight of 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile is 329.08 g/mol.
Where can I buy 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile?
You can request a quote for 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.