![3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5315/531544-41-9.webp)
3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
TL;DR: 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 531544-41-9) is a chemical compound with molecular formula C15H9I2N3O5S and molecular weight 596.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diiodo-2-[(3-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3,5-diiodo-2-[(3-nitrobenzoyl)carbamothioylamino]benzoic acid, 3,5-diiodo-2-[(3-nitrobenzoyl)thiocarbamoylamino]benzoic Acid, 3,5-DIIODO-2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C15H9I2N3O5S |
|---|---|
| Molecular Weight | 596.84 g/mol |
| LogP | 3.629 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 596.83527 |
| Heavy Atoms | 26 |
| Complexity | 935.49304 |
Chemical Identifiers
| CAS Number | 531544-41-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=C(C=C2I)I)C(=O)O |
Product Overview
3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 531544-41-9), with molecular formula C15H9I2N3O5S and molecular weight 596.84 g/mol. IUPAC: 3,5-diiodo-2-[(3-nitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
Property Insights of 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 3.629 indicates that 3,5-Diiodo-2-[[[(3-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 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is 531544-41-9.
What is the molecular formula of 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is C15H9I2N3O5S.
What is the molecular weight of 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is 596.84 g/mol.
Where can I buy 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 3,5-Diiodo-2-[[[(3-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 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.