![Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]- structure](/static/products/879/87998-77-4.png)
Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-
TL;DR: Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]- (CAS 87998-77-4) 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.
4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid, Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-, 4-({[(2-Methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid, 4-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]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 | 759.4408 |
Chemical Identifiers
| CAS Number | 87998-77-4 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O |
Product Overview
Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]- (CAS 87998-77-4), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: 4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-
Property Insights of Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-
The XLogP value of 2.58522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-. Following Lipinski's Rule of Five, Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]- 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 Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-?
The CAS number of Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]- is 87998-77-4.
What is the molecular formula of Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-?
The molecular formula of Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]- is C17H16N2O4S.
What is the molecular weight of Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-?
The molecular weight of Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]- is 344.08 g/mol.
Where can I buy Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-?
You can request a quote for Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.