![2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid structure](/static/products/2067/20679-94-1.webp)
2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid
TL;DR: 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid (CAS 20679-94-1) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-(phenylcarbamothioylamino)benzoic acid
Also Known As: p-Phenylthioureidosalicylic acid, PTU 20, N-Phenyl-N'-4-carboxy-5-hydroxyphenylthiourea, U 1238, 4-14-00-02033 (Beilstein Handbook Reference)
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 20679-94-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)C(=O)O)O |
| InChIKey | QIYIZFXGUVHGKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid (CAS 20679-94-1), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: 2-hydroxy-4-(phenylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid
Property Insights of 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid
The XLogP value of 3.6 indicates that 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid. Following Lipinski's Rule of Five, 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic 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
Frequently Asked Questions
What is the CAS number of 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid?
The CAS number of 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid is 20679-94-1.
What is the molecular formula of 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid?
The molecular formula of 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid is C14H12N2O3S.
What is the molecular weight of 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid?
The molecular weight of 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid is 288.06 g/mol.
Where can I buy 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid?
You can request a quote for 2-Hydroxy-4-[[(phenylamino)thioxomethyl]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 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-4-[[(phenylamino)thioxomethyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.