2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile
TL;DR: 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile (CAS 136238-43-2) is a chemical compound with molecular formula C5H2Br3N3 and molecular weight 340.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,5-tribromoimidazol-1-yl)acetonitrile
Also Known As: 2-(2,4,5-tribromoimidazol-1-yl)acetonitrile, Acetonitrile, 2-(2,4,5-tribromoimidazol-1-yl)-, (2,4,5-Tribromo-1H-imidazol-1-yl)acetonitrile
| Molecular Formula | C5H2Br3N3 |
|---|---|
| Molecular Weight | 340.78 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 340.77988 |
| Heavy Atoms | 11 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 136238-43-2 |
|---|---|
| SMILES | C(C#N)N1C(=C(N=C1Br)Br)Br |
| InChIKey | PXIAFKUGYGYYCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile (CAS 136238-43-2), with molecular formula C5H2Br3N3 and molecular weight 340.78 g/mol. IUPAC: 2-(2,4,5-tribromoimidazol-1-yl)acetonitrile.
Chemical Property Profile of 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile
Property Insights of 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile
The XLogP value of 3.0 indicates that 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile has 0 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-(2,4,5-Tribromoimidazol-1-yl)acetonitrile?
The CAS number of 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile is 136238-43-2.
What is the molecular formula of 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile?
The molecular formula of 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile is C5H2Br3N3.
What is the molecular weight of 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile?
The molecular weight of 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile is 340.78 g/mol.
Where can I buy 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile?
You can request a quote for 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4,5-Tribromoimidazol-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.