![4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile structure](/static/products/890/890093-01-3.png)
4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile
TL;DR: 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile (CAS 890093-01-3) is a chemical compound with molecular formula C15H15N3O2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-2-(pyridin-4-ylmethylamino)benzonitrile
Also Known As: ZERO/004958, 4,5-dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile, 4,5-dimethoxy-2-(pyridin-4-ylmethylamino)benzonitrile, 4,5-dimethoxy-2-{[(pyridin-4-yl)methyl]amino}benzonitrile, 4,5-dimethoxy-2-(4-pyridylmethylamino)benzonitrile
| Molecular Formula | C15H15N3O2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 2.58258 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.11642 |
| Heavy Atoms | 20 |
| Complexity | 621.00604 |
Chemical Identifiers
| CAS Number | 890093-01-3 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C#N)NCC2=CC=NC=C2)OC |
Product Overview
4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile (CAS 890093-01-3), with molecular formula C15H15N3O2 and molecular weight 269.12 g/mol. IUPAC: 4,5-dimethoxy-2-(pyridin-4-ylmethylamino)benzonitrile.
Chemical Property Profile of 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile
Property Insights of 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile
The XLogP value of 2.58258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile. The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile. Following Lipinski's Rule of Five, 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile has 1 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 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile?
The CAS number of 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile is 890093-01-3.
What is the molecular formula of 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile?
The molecular formula of 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile is C15H15N3O2.
What is the molecular weight of 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile?
The molecular weight of 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile is 269.12 g/mol.
Where can I buy 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile?
You can request a quote for 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-2-[(pyridin-4-ylmethyl)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.