2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid
TL;DR: 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid (CAS 125421-23-0) is a chemical compound with molecular formula C13H19N3O2S and molecular weight 281.1198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-aminophenyl)carbamothioylamino]-4-methylpentanoic acid
Also Known As: 2-Amino-ptc-leu, o-Amino-ptc-leucine, 2-[(2-aminophenyl)carbamothioylamino]-4-methylpentanoic acid, 2-(2'-Methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid, DL-Leucine,N-(((2-aminophenyl)amino)thioxomethyl)
Technical Specifications
| Molecular Formula | C13H19N3O2S |
| Molecular Weight | 281.1198 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.1198 Da |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
| SMILES | CC(C)CC(C(=O)O)NC(=S)NC1=CC=CC=C1N |
| InChIKey | GLGSSJBUQGGWJS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid
Property Insights of 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid. Following Lipinski's Rule of Five, 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid has 4 hydrogen bond donor(s) and 4 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-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid?
The CAS number of 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid is 125421-23-0.
What is the molecular formula of 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid?
The molecular formula of 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid is C13H19N3O2S.
What is the molecular weight of 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid?
The molecular weight of 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid is 281.1198 g/mol.
Where can I buy 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid?
You can request a quote for 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2'-methylpropyl)-N(5)-(2'-aminophenyl)-4-thiohydantoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.