![2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile structure](/static/products/3319/331981-33-0.webp)
2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile
TL;DR: 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile (CAS 331981-33-0) is a chemical compound with molecular formula C19H12BrN3O2 and molecular weight 393.01 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-(4-bromophenyl)pyridine-3-carbonitrile
Also Known As: BAS 00727728, 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile, 2-Amino-4-benzo[1,3]dioxol-5-yl-6-(4-bromo-phenyl)-nicotinonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)pyridine-3-carbonitrile, 4-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-amino-6-(4-bromophenyl)pyridine-3-carbo nitrile
| Molecular Formula | C19H12BrN3O2 |
|---|---|
| Molecular Weight | 393.01 g/mol |
| LogP | 4.36068 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.0113 |
| Heavy Atoms | 25 |
| Complexity | 1010.41315 |
Chemical Identifiers
| CAS Number | 331981-33-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)N)C4=CC=C(C=C4)Br |
Product Overview
2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile (CAS 331981-33-0), with molecular formula C19H12BrN3O2 and molecular weight 393.01 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile
Property Insights of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile
The XLogP value of 4.36068 indicates that 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)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-(4-bromophenyl)nicotinonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)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-(4-bromophenyl)nicotinonitrile?
The CAS number of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile is 331981-33-0.
What is the molecular formula of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile?
The molecular formula of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile is C19H12BrN3O2.
What is the molecular weight of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile?
The molecular weight of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile is 393.01 g/mol.
Where can I buy 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile?
You can request a quote for 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)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-(4-bromophenyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.