![2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid structure](/static/products/1579/157921-79-4.webp)
2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid
TL;DR: 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid (CAS 157921-79-4) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid
Also Known As: 2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid, 2-[(2-phenoxyacetyl)thiocarbamoylamino]benzoic Acid, 2-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid, 2-[[[(PHENOXYACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Technical Specifications
| Molecular Formula | C16H14N2O4S |
| Molecular Weight | 330.0674 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.0674 Da |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
| SMILES | C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC=C2C(=O)O |
| InChIKey | YRCDLBWYFVQHKY-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid
Property Insights of 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid
The XLogP value of 3.1 indicates that 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid has 3 hydrogen bond donor(s) and 5 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-Phenoxyacetyl)carbamothioylamino]benzoic acid?
The CAS number of 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid is 157921-79-4.
What is the molecular formula of 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid?
The molecular formula of 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid is C16H14N2O4S.
What is the molecular weight of 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid?
The molecular weight of 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid is 330.0674 g/mol.
Where can I buy 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid?
You can request a quote for 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(2-Phenoxyacetyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.