![4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid structure](/static/products/5369/536986-10-4.webp)
4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
TL;DR: 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 536986-10-4) is a chemical compound with molecular formula C16H12ClN3O6S and molecular weight 409.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 4-chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid, 4-chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]ben, 4-Chloro-3-({[(2-nitrophenoxy)acetyl]carbamothioyl}amino)benzoic acid, 4-chloro-3-[[2-(2-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 4-CHLORO-3-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
| Molecular Formula | C16H12ClN3O6S |
|---|---|
| Molecular Weight | 409.01 g/mol |
| LogP | 2.8384 |
| Topological Polar Surface Area | 130.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.01352 |
| Heavy Atoms | 27 |
| Complexity | 920.7787 |
Chemical Identifiers
| CAS Number | 536986-10-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 536986-10-4), with molecular formula C16H12ClN3O6S and molecular weight 409.01 g/mol. IUPAC: 4-chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
Property Insights of 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
The XLogP value of 2.8384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid. The TPSA of 130.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid has 3 hydrogen bond donor(s) and 6 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-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
The CAS number of 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid is 536986-10-4.
What is the molecular formula of 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular formula of 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid is C16H12ClN3O6S.
What is the molecular weight of 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular weight of 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid is 409.01 g/mol.
Where can I buy 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
You can request a quote for 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]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-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.