![Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro- structure](/static/products/1643/16434-87-0.webp)
Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro-
TL;DR: Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro- (CAS 16434-87-0) is a chemical compound with molecular formula C15H8Br2N2O3 and molecular weight 421.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dibromo-2-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Also Known As: (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-, 3-(3,5-dibromo-2-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile, Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro-
| Molecular Formula | C15H8Br2N2O3 |
|---|---|
| Molecular Weight | 421.89 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.89017 |
| Heavy Atoms | 22 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 16434-87-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=CC2=C(C(=CC(=C2)Br)Br)O)C#N)[N+](=O)[O-] |
| InChIKey | ZPUVRYBJVOJBOQ-UHFFFAOYSA-N |
Product Overview
Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro- (CAS 16434-87-0), with molecular formula C15H8Br2N2O3 and molecular weight 421.89 g/mol. IUPAC: 3-(3,5-dibromo-2-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro-
Property Insights of Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro-
The XLogP value of 4.6 indicates that Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro-. Following Lipinski's Rule of Five, Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro- 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 Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro-?
The CAS number of Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro- is 16434-87-0.
What is the molecular formula of Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro-?
The molecular formula of Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro- is C15H8Br2N2O3.
What is the molecular weight of Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro-?
The molecular weight of Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro- is 421.89 g/mol.
Where can I buy Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro-?
You can request a quote for Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, a-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.