2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile
TL;DR: 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile (CAS 300586-89-4) is a chemical compound with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methylamino]-4,6-dimethyl-5-nitropyridine-3-carbonitrile
Also Known As: 2-((4-methoxybenzyl)amino)-4,6-dimethyl-5-nitronicotinonitrile, 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile, 5-nitro-2-[(4-methoxybenzyl)amino]-4,6-dimethylnicotinonitrile, 2-[(4-methoxybenzyl)amino]-4,6-dimethyl-5-nitropyridine-3-carbonitrile, 2-[(4-methoxyphenyl)methylamino]-4,6-dimethyl-5-nitropyridine-3-carbonitrile
| Molecular Formula | C16H16N4O3 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 3.09902 |
| Topological Polar Surface Area | 101.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.12225 |
| Heavy Atoms | 23 |
| Complexity | 779.3928 |
Chemical Identifiers
| CAS Number | 300586-89-4 |
|---|---|
| SMILES | CC1=C(C(=NC(=C1[N+](=O)[O-])C)NCC2=CC=C(C=C2)OC)C#N |
Product Overview
2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile (CAS 300586-89-4), with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol. IUPAC: 2-[(4-methoxyphenyl)methylamino]-4,6-dimethyl-5-nitropyridine-3-carbonitrile.
Chemical Property Profile of 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile
Property Insights of 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile
The XLogP value of 3.09902 indicates that 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile. Following Lipinski's Rule of Five, 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile has 1 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 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile?
The CAS number of 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile is 300586-89-4.
What is the molecular formula of 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile?
The molecular formula of 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile is C16H16N4O3.
What is the molecular weight of 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile?
The molecular weight of 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile is 312.12 g/mol.
Where can I buy 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile?
You can request a quote for 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile 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-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxy-benzylamino)-4,6-dimethyl-5-nitro-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.