![4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid structure](/static/products/7082/708233-01-6.webp)
4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid
TL;DR: 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid (CAS 708233-01-6) is a chemical compound with molecular formula C19H16N2O4S and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]methyl]benzoic acid
Also Known As: 4-((3-(4-Methyl-2-oxo-2H-chromen-7-yl)thioureido)methyl)benzoic acid, 4-[[(4-methyl-2-oxo-chromen-7-yl)thiocarbamoylamino]methyl]benzoic Acid, 4-[[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]methyl]benzoic acid, 4-({[(4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl]amino}methyl)benzoic acid, 4-[({[(4-methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid
| Molecular Formula | C19H16N2O4S |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 3.28622 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.08307 |
| Heavy Atoms | 26 |
| Complexity | 1041.5836 |
Chemical Identifiers
| CAS Number | 708233-01-6 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid (CAS 708233-01-6), with molecular formula C19H16N2O4S and molecular weight 368.08 g/mol. IUPAC: 4-[[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]methyl]benzoic acid.
Chemical Property Profile of 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid
Property Insights of 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid
The XLogP value of 3.28622 indicates that 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]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-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid?
The CAS number of 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid is 708233-01-6.
What is the molecular formula of 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid?
The molecular formula of 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid is C19H16N2O4S.
What is the molecular weight of 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid?
The molecular weight of 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid is 368.08 g/mol.
Where can I buy 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid?
You can request a quote for 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]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-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[({[(4-Methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.