![3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5329/532963-46-5.webp)
3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
TL;DR: 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid (CAS 532963-46-5) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid, 3-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 3-[[[[(2-Methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.58522 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 776.6908 |
Chemical Identifiers
| CAS Number | 532963-46-5 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid (CAS 532963-46-5), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: 3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
Property Insights of 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 2.58522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]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 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is 532963-46-5.
What is the molecular formula of 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is C17H16N2O4S.
What is the molecular weight of 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is 344.08 g/mol.
Where can I buy 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 3-[[[[(2-Methylphenoxy)acetyl]amino]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 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[[(2-Methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.