![5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid structure](/static/products/5359/535954-70-2.webp)
5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
TL;DR: 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 535954-70-2) is a chemical compound with molecular formula C16H12IN3O6S and molecular weight 500.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 5-iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid, 5-iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzo, 5-Iodo-2-({[(2-nitrophenoxy)acetyl]carbamothioyl}amino)benzoic acid, 5-IODO-2-[[[[ ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 5-iodo-2-[[2-(2-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic Acid
| Molecular Formula | C16H12IN3O6S |
|---|---|
| Molecular Weight | 500.95 g/mol |
| LogP | 2.7896 |
| Topological Polar Surface Area | 130.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.94916 |
| Heavy Atoms | 27 |
| Complexity | 920.7787 |
Chemical Identifiers
| CAS Number | 535954-70-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O |
Product Overview
5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 535954-70-2), with molecular formula C16H12IN3O6S and molecular weight 500.95 g/mol. IUPAC: 5-iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
Property Insights of 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
The XLogP value of 2.7896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid. The TPSA of 130.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
The CAS number of 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid is 535954-70-2.
What is the molecular formula of 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular formula of 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid is C16H12IN3O6S.
What is the molecular weight of 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular weight of 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid is 500.95 g/mol.
Where can I buy 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
You can request a quote for 5-Iodo-2-[[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 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.