4-ethylgallic acid
TL;DR: 4-ethylgallic acid (CAS 117824-01-8) is a chemical compound with molecular formula C16H19N8O4PS2 and molecular weight 482.07083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[ethoxy-[(pyridine-4-carbonylamino)carbamothioylamino]phosphoryl]-3-(pyridine-4-carbonylamino)thiourea
Also Known As: 4-ethylgallic acid, 1-[ethoxy-[(pyridine-4-carbonylamino)carbamothioylamino]phosphoryl]-3-(pyridine-4-carbonylamino)thiourea, 1-[ethoxy-[(pyridine-4-carbonylamino)carbamothioylamino]phos, Ethyl N,N'-bis[(2-isonicotinoylhydrazino)carbonothioyl]diamidophosphate, Ethyl N,N'-bis[2-(pyridine-4-carbonyl)hydrazine-1-carbothioyl]phosphorodiamidate
Technical Specifications
| Molecular Formula | C16H19N8O4PS2 |
| Molecular Weight | 482.07083 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 223.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.07083 Da |
| Heavy Atoms | 31 |
| Complexity | 649.0 |
| SMILES | CCOP(=O)(NC(=S)NNC(=O)C1=CC=NC=C1)NC(=S)NNC(=O)C2=CC=NC=C2 |
| InChIKey | MFGISGZDNUKYDL-UHFFFAOYSA-N |
Chemical Property Profile of 4-ethylgallic acid
Property Insights of 4-ethylgallic acid
The XLogP value of -0.1 indicates that 4-ethylgallic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.0 Ų indicates high polarity, suggesting 4-ethylgallic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-ethylgallic acid has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-ethylgallic acid?
The CAS number of 4-ethylgallic acid is 117824-01-8.
What is the molecular formula of 4-ethylgallic acid?
The molecular formula of 4-ethylgallic acid is C16H19N8O4PS2.
What is the molecular weight of 4-ethylgallic acid?
The molecular weight of 4-ethylgallic acid is 482.07083 g/mol.
Where can I buy 4-ethylgallic acid?
You can request a quote for 4-ethylgallic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-ethylgallic acid?
Yes, CoreyChem provides custom synthesis services for 4-ethylgallic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.