![5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5339/533918-01-3.webp)
5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
TL;DR: 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid (CAS 533918-01-3) is a chemical compound with molecular formula C16H12BrN3O6S and molecular weight 452.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 5-bromo-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid, 5-bromo-2-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C16H12BrN3O6S |
|---|---|
| Molecular Weight | 452.96 g/mol |
| LogP | 2.9475 |
| Topological Polar Surface Area | 130.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.963 |
| Heavy Atoms | 27 |
| Complexity | 903.5287 |
Chemical Identifiers
| CAS Number | 533918-01-3 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O |
Product Overview
5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid (CAS 533918-01-3), with molecular formula C16H12BrN3O6S and molecular weight 452.96 g/mol. IUPAC: 5-bromo-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
Property Insights of 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 2.9475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid. The TPSA of 130.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-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-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is 533918-01-3.
What is the molecular formula of 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is C16H12BrN3O6S.
What is the molecular weight of 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is 452.96 g/mol.
Where can I buy 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 5-Bromo-2-[[[[(4-nitrophenoxy)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 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-[[[[(4-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.