![2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile structure](/static/products/3319/331981-35-2.webp)
2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile
TL;DR: 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile (CAS 331981-35-2) is a chemical compound with molecular formula C21H17N3O2 and molecular weight 343.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)pyridine-3-carbonitrile
Also Known As: BAS 00727730, 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile, 2-Amino-4-benzo[1,3]dioxol-5-yl-6-(2,5-dimethyl-phenyl)-nicotinonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)pyridine-3-carbonitrile
| Molecular Formula | C21H17N3O2 |
|---|---|
| Molecular Weight | 343.13 g/mol |
| LogP | 4.21502 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.13208 |
| Heavy Atoms | 26 |
| Complexity | 1067.5818 |
Chemical Identifiers
| CAS Number | 331981-35-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C2=NC(=C(C(=C2)C3=CC4=C(C=C3)OCO4)C#N)N |
Product Overview
2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile (CAS 331981-35-2), with molecular formula C21H17N3O2 and molecular weight 343.13 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile
Property Insights of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile
The XLogP value of 4.21502 indicates that 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile 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 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile?
The CAS number of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile is 331981-35-2.
What is the molecular formula of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile?
The molecular formula of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile is C21H17N3O2.
What is the molecular weight of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile?
The molecular weight of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile is 343.13 g/mol.
Where can I buy 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile?
You can request a quote for 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2,5-dimethylphenyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.