4-Anilino-2-methoxynicotinonitrile
TL;DR: 4-Anilino-2-methoxynicotinonitrile (CAS 147992-98-1) is a chemical compound with molecular formula C13H11N3O and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-2-methoxypyridine-3-carbonitrile
Also Known As: 4-anilino-2-methoxynicotinonitrile, 4-anilino-2-methoxypyridine-3-carbonitrile, 4-anilino-2-methoxy-nicotinonitrile, 2-methoxy-4-(phenylamino)nicotinonitrile, 3-cyano-2-methoxy-4-phenylaminopyridine
| Molecular Formula | C13H11N3O |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.09021 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 147992-98-1 |
|---|---|
| SMILES | COC1=NC=CC(=C1C#N)NC2=CC=CC=C2 |
| InChIKey | NIROEMKUMMZZRN-UHFFFAOYSA-N |
Product Overview
4-Anilino-2-methoxynicotinonitrile (CAS 147992-98-1), with molecular formula C13H11N3O and molecular weight 225.09 g/mol. IUPAC: 4-anilino-2-methoxypyridine-3-carbonitrile.
Chemical Property Profile of 4-Anilino-2-methoxynicotinonitrile
Property Insights of 4-Anilino-2-methoxynicotinonitrile
The XLogP value of 3.0 indicates that 4-Anilino-2-methoxynicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 4-Anilino-2-methoxynicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Anilino-2-methoxynicotinonitrile has 1 hydrogen bond donor(s) and 4 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-Anilino-2-methoxynicotinonitrile?
The CAS number of 4-Anilino-2-methoxynicotinonitrile is 147992-98-1.
What is the molecular formula of 4-Anilino-2-methoxynicotinonitrile?
The molecular formula of 4-Anilino-2-methoxynicotinonitrile is C13H11N3O.
What is the molecular weight of 4-Anilino-2-methoxynicotinonitrile?
The molecular weight of 4-Anilino-2-methoxynicotinonitrile is 225.09 g/mol.
Where can I buy 4-Anilino-2-methoxynicotinonitrile?
You can request a quote for 4-Anilino-2-methoxynicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anilino-2-methoxynicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilino-2-methoxynicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.