2,4,5-Tribromoimidazole-1-dimethylcarbamic acid
TL;DR: 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid (CAS 94847-66-2) is a chemical compound with molecular formula C6H6Br3N3O and molecular weight 372.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-tribromo-N,N-dimethylimidazole-1-carboxamide
Also Known As: 1-Dimethylcarbamoyl-2,4,5-tribromoimidazole, Cid 146856, DC-2,4,5-TBI, 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid, N,N-Dimethyl-2,4,5-tribromo-1-imidazolecarboxamide
| Molecular Formula | C6H6Br3N3O |
|---|---|
| Molecular Weight | 372.81 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 372.8061 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 94847-66-2 |
|---|---|
| SMILES | CN(C)C(=O)N1C(=C(N=C1Br)Br)Br |
| InChIKey | MQECOKJOKJUMII-UHFFFAOYSA-N |
Product Overview
2,4,5-Tribromoimidazole-1-dimethylcarbamic acid (CAS 94847-66-2), with molecular formula C6H6Br3N3O and molecular weight 372.81 g/mol. IUPAC: 2,4,5-tribromo-N,N-dimethylimidazole-1-carboxamide.
Chemical Property Profile of 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid
Property Insights of 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid
The XLogP value of 3.0 indicates that 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid 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 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid?
The CAS number of 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid is 94847-66-2.
What is the molecular formula of 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid?
The molecular formula of 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid is C6H6Br3N3O.
What is the molecular weight of 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid?
The molecular weight of 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid is 372.81 g/mol.
Where can I buy 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid?
You can request a quote for 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Tribromoimidazole-1-dimethylcarbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.