![2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5329/532979-80-9.webp)
2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
TL;DR: 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 532979-80-9) is a chemical compound with molecular formula C15H10BrN3O5S and molecular weight 422.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-bromo-5-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 2-[(2-bromo-5-nitrobenzoyl)carbamothioylamino]benzoic acid, 2-[(2-bromo-5-nitro-benzoyl)thiocarbamoylamino]benzoic Acid, 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C15H10BrN3O5S |
|---|---|
| Molecular Weight | 422.95 g/mol |
| LogP | 3.1823 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.95245 |
| Heavy Atoms | 25 |
| Complexity | 887.2206 |
Chemical Identifiers
| CAS Number | 532979-80-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br |
Product Overview
2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 532979-80-9), with molecular formula C15H10BrN3O5S and molecular weight 422.95 g/mol. IUPAC: 2-[(2-bromo-5-nitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
Property Insights of 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 3.1823 indicates that 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid has 3 hydrogen bond donor(s) and 5 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 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is 532979-80-9.
What is the molecular formula of 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is C15H10BrN3O5S.
What is the molecular weight of 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is 422.95 g/mol.
Where can I buy 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 2-[[[(2-Bromo-5-nitrobenzoyl)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 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.