![4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid structure](/static/products/879/87998-76-3.png)
4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid
TL;DR: 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid (CAS 87998-76-3) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid
Also Known As: 4-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid, 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid, 4-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 4-({[(phenoxyacetyl)amino]carbothioyl}amino)benzoic acid
| Molecular Formula | C16H14N2O4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.2768 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.0674 |
| Heavy Atoms | 23 |
| Complexity | 701.77997 |
Chemical Identifiers
| CAS Number | 87998-76-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid (CAS 87998-76-3), with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol. IUPAC: 4-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid
Property Insights of 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid
The XLogP value of 2.2768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid has 3 hydrogen bond donor(s) and 4 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 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid?
The CAS number of 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid is 87998-76-3.
What is the molecular formula of 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid?
The molecular formula of 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid is C16H14N2O4S.
What is the molecular weight of 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid?
The molecular weight of 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid is 330.07 g/mol.
Where can I buy 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid?
You can request a quote for 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.