3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile
TL;DR: 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile (CAS 331979-31-8) is a chemical compound with molecular formula C17H12BrN3 and molecular weight 337.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Also Known As: BIM-0023058.P001, 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile, (Z)-3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile, 3-(4-bromophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile
| Molecular Formula | C17H12BrN3 |
|---|---|
| Molecular Weight | 337.02 g/mol |
| LogP | 4.698 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.02145 |
| Heavy Atoms | 21 |
| Complexity | 867.18176 |
Chemical Identifiers
| CAS Number | 331979-31-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)/C(=C\C3=CC=C(C=C3)Br)/C#N |
Product Overview
3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile (CAS 331979-31-8), with molecular formula C17H12BrN3 and molecular weight 337.02 g/mol. IUPAC: (Z)-3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile
Property Insights of 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile
The XLogP value of 4.698 indicates that 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)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, 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)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 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile?
The CAS number of 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile is 331979-31-8.
What is the molecular formula of 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile?
The molecular formula of 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile is C17H12BrN3.
What is the molecular weight of 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile?
The molecular weight of 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile is 337.02 g/mol.
Where can I buy 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile?
You can request a quote for 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.