2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile
TL;DR: 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile (CAS 1049983-86-9) is a chemical compound with molecular formula C16H10BrN3 and molecular weight 323.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile
Also Known As: BAS 00600875, 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile, (2E)-2-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile, 2-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)acrylonitrile, A1328/0060087
| Molecular Formula | C16H10BrN3 |
|---|---|
| Molecular Weight | 323.01 g/mol |
| LogP | 4.38958 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.0058 |
| Heavy Atoms | 20 |
| Complexity | 789.7993 |
Chemical Identifiers
| CAS Number | 1049983-86-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(C=C3)Br)/C#N |
Product Overview
2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile (CAS 1049983-86-9), with molecular formula C16H10BrN3 and molecular weight 323.01 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile
Property Insights of 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile
The XLogP value of 4.38958 indicates that 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile has 1 hydrogen bond donor(s) and 2 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-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile?
The CAS number of 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile is 1049983-86-9.
What is the molecular formula of 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile?
The molecular formula of 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile is C16H10BrN3.
What is the molecular weight of 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile?
The molecular weight of 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile is 323.01 g/mol.
Where can I buy 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile?
You can request a quote for 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Benzoimidazol-2-yl)-3-(4-bromo-phenyl)-acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.