![5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid structure](/static/products/5359/535966-10-0.webp)
5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
TL;DR: 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 535966-10-0) 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.
5-chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 5-chloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid, 5-CHLORO-2-[[[[ ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 5-chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid, 5-chloro-2-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 5-Chloro-2-[[[[(4-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 | 903.5287 |
Chemical Identifiers
| CAS Number | 535966-10-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O |
Product Overview
5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 535966-10-0), with molecular formula C16H12ClN3O6S and molecular weight 409.01 g/mol. IUPAC: 5-chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
Property Insights of 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
The XLogP value of 2.8384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid. The TPSA of 130.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 5-Chloro-2-[[2-(4-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 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
The CAS number of 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid is 535966-10-0.
What is the molecular formula of 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular formula of 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid is C16H12ClN3O6S.
What is the molecular weight of 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular weight of 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid is 409.01 g/mol.
Where can I buy 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
You can request a quote for 5-Chloro-2-[[2-(4-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 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.