2,4,5-Tribromoimidazole-1-n-butylcarboxylate
TL;DR: 2,4,5-Tribromoimidazole-1-n-butylcarboxylate (CAS 15287-51-1) is a chemical compound with molecular formula C8H9Br3N2O2 and molecular weight 401.8214 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 2,4,5-tribromoimidazole-1-carboxylate
Also Known As: 2,4,5-Tribromoimidazole-1-n-butylcarboxylate, 2,4,5-TBIBC, butyl 2,4,5-tribromoimidazole-1-carboxylate, 1-n-Butylcarboxylate-2,4,5-tribromoimidazole, 2,4,5-Tribromo-1-imidazolecarboxylic acid butyl ester
Technical Specifications
| Molecular Formula | C8H9Br3N2O2 |
| Molecular Weight | 401.8214 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.8214 Da |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
| SMILES | CCCCOC(=O)N1C(=C(N=C1Br)Br)Br |
| InChIKey | UXSDUYGMRLQRMS-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,5-Tribromoimidazole-1-n-butylcarboxylate
Property Insights of 2,4,5-Tribromoimidazole-1-n-butylcarboxylate
The XLogP value of 4.6 indicates that 2,4,5-Tribromoimidazole-1-n-butylcarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 2,4,5-Tribromoimidazole-1-n-butylcarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Tribromoimidazole-1-n-butylcarboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4,5-Tribromoimidazole-1-n-butylcarboxylate?
The CAS number of 2,4,5-Tribromoimidazole-1-n-butylcarboxylate is 15287-51-1.
What is the molecular formula of 2,4,5-Tribromoimidazole-1-n-butylcarboxylate?
The molecular formula of 2,4,5-Tribromoimidazole-1-n-butylcarboxylate is C8H9Br3N2O2.
What is the molecular weight of 2,4,5-Tribromoimidazole-1-n-butylcarboxylate?
The molecular weight of 2,4,5-Tribromoimidazole-1-n-butylcarboxylate is 401.8214 g/mol.
Where can I buy 2,4,5-Tribromoimidazole-1-n-butylcarboxylate?
You can request a quote for 2,4,5-Tribromoimidazole-1-n-butylcarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,5-Tribromoimidazole-1-n-butylcarboxylate?
Yes, CoreyChem provides custom synthesis services for 2,4,5-Tribromoimidazole-1-n-butylcarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.