Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester
TL;DR: Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester (CAS 15327-29-4) is a chemical compound with molecular formula C6H5Br3N2OS and molecular weight 389.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 2,4,5-tribromoimidazole-1-carbothioate
Also Known As: S-ethyl 2,4,5-tribromoimidazole-1-carbothioate, Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester, Ethylsulfanyl-(2,4,5-tribromoimidazol-1-yl)methanone, S-ethyl 2,4,5-tribromo-1H-imidazole-1-carbothioate, 1H-Imidazole-1-carbothioic acid, 2,4,5-tribromo-, S-ethyl ester
| Molecular Formula | C6H5Br3N2OS |
|---|---|
| Molecular Weight | 389.77 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.76727 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 15327-29-4 |
|---|---|
| SMILES | CCSC(=O)N1C(=C(N=C1Br)Br)Br |
| InChIKey | UEXHNMMETPZGGL-UHFFFAOYSA-N |
Product Overview
Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester (CAS 15327-29-4), with molecular formula C6H5Br3N2OS and molecular weight 389.77 g/mol. IUPAC: S-ethyl 2,4,5-tribromoimidazole-1-carbothioate.
Chemical Property Profile of Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester
Property Insights of Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester
The XLogP value of 4.3 indicates that Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester. Following Lipinski's Rule of Five, Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester 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
Frequently Asked Questions
What is the CAS number of Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester?
The CAS number of Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester is 15327-29-4.
What is the molecular formula of Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester?
The molecular formula of Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester is C6H5Br3N2OS.
What is the molecular weight of Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester?
The molecular weight of Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester is 389.77 g/mol.
Where can I buy Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester?
You can request a quote for Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Imidazole-1-carboxylic acid, 2,4,5-tribromothio-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.