Trc 4149
TL;DR: Trc 4149 (CAS 333797-94-7) is a chemical compound with molecular formula C13H14BrN3O4S2 and molecular weight 418.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbohydrazide bromide
Also Known As: TRC 4149, Pyridinium, 3-((2-(methylsulfonyl)hydrazino)carbonyl)-1-(2-oxo-2-(2-thienyl)ethyl)-, bromide, N'-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbohydrazide;bromide, N'-methylsulfonyl-1-(2-oxo-2-thiophen-2-yl-ethyl)pyridine-5-carbohydrazide Bromide
| Molecular Formula | C13H14BrN3O4S2 |
|---|---|
| Molecular Weight | 418.96 g/mol |
| LogP | -2.8835 |
| Topological Polar Surface Area | 96.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.9609 |
| Heavy Atoms | 23 |
| Complexity | 791.3108 |
Chemical Identifiers
| CAS Number | 333797-94-7 |
|---|---|
| SMILES | CS(=O)(=O)NNC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=CS2.[Br-] |
Product Overview
Trc 4149 (CAS 333797-94-7), with molecular formula C13H14BrN3O4S2 and molecular weight 418.96 g/mol. IUPAC: N'-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbohydrazide bromide.
Chemical Property Profile of Trc 4149
Property Insights of Trc 4149
The XLogP value of -2.8835 indicates that Trc 4149 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Trc 4149. Following Lipinski's Rule of Five, Trc 4149 has 2 hydrogen bond donor(s) and 5 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 Trc 4149?
The CAS number of Trc 4149 is 333797-94-7.
What is the molecular formula of Trc 4149?
The molecular formula of Trc 4149 is C13H14BrN3O4S2.
What is the molecular weight of Trc 4149?
The molecular weight of Trc 4149 is 418.96 g/mol.
Where can I buy Trc 4149?
You can request a quote for Trc 4149 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trc 4149?
Yes, KEHONG BIO provides custom synthesis services for Trc 4149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.