![2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile structure](/static/products/3319/331981-12-5.webp)
2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile
TL;DR: 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile (CAS 331981-12-5) is a chemical compound with molecular formula C19H13N3O2 and molecular weight 315.10 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-phenylpyridine-3-carbonitrile
Also Known As: TimTec1_006593, BAS 00727702, 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile, 2-Amino-4-benzo[1,3]dioxol-5-yl-6-phenyl-nicotinonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylnicotinonitrile
| Molecular Formula | C19H13N3O2 |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 3.59818 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.10077 |
| Heavy Atoms | 24 |
| Complexity | 962.3362 |
Chemical Identifiers
| CAS Number | 331981-12-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)N)C4=CC=CC=C4 |
Product Overview
2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile (CAS 331981-12-5), with molecular formula C19H13N3O2 and molecular weight 315.10 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile
Property Insights of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile
The XLogP value of 3.59818 indicates that 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile 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-phenylnicotinonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile 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-phenylnicotinonitrile?
The CAS number of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile is 331981-12-5.
What is the molecular formula of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile?
The molecular formula of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile is C19H13N3O2.
What is the molecular weight of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile?
The molecular weight of 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile is 315.10 g/mol.
Where can I buy 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile?
You can request a quote for 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile 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-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.