4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile
TL;DR: 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile (CAS 53548-95-1) is a chemical compound with molecular formula C18H15N3 and molecular weight 273.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-(naphthalen-1-ylamino)pyridine-3-carbonitrile
Also Known As: BAS 00648507, 4,6-dimethyl-2-(1-naphthylamino)nicotinonitrile, 4,6-dimethyl-2-(naphthalen-1-ylamino)pyridine-3-carbonitrile, 4,6-dimethyl-2-(naphthylamino)pyridine-3-carbonitrile, 4,6-Dimethyl-2-(naphthalen-1-ylamino)-nicotinonitrile
| Molecular Formula | C18H15N3 |
|---|---|
| Molecular Weight | 273.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.1266 |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 53548-95-1 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)NC2=CC=CC3=CC=CC=C32)C |
| InChIKey | QUIQUFKMLOHFTK-UHFFFAOYSA-N |
Product Overview
4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile (CAS 53548-95-1), with molecular formula C18H15N3 and molecular weight 273.13 g/mol. IUPAC: 4,6-dimethyl-2-(naphthalen-1-ylamino)pyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile
Property Insights of 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile
The XLogP value of 5.0 indicates that 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.7 Ų, 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile has 1 hydrogen bond donor(s) and 3 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 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile?
The CAS number of 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile is 53548-95-1.
What is the molecular formula of 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile?
The molecular formula of 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile is C18H15N3.
What is the molecular weight of 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile?
The molecular weight of 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile is 273.13 g/mol.
Where can I buy 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile?
You can request a quote for 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-(1-naphthylamino)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.