![3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5339/533922-34-8.webp)
3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid
TL;DR: 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid (CAS 533922-34-8) is a chemical compound with molecular formula C14H16I2N2O3S and molecular weight 545.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hexanoylcarbamothioylamino)-3,5-diiodobenzoic acid
Also Known As: 2-(hexanoylcarbamothioylamino)-3,5-diiodobenzoic acid, 2-(hexanoylthiocarbamoylamino)-3,5-diiodo-benzoic Acid, 3,5-diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid, 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C14H16I2N2O3S |
|---|---|
| Molecular Weight | 545.90 g/mol |
| LogP | 3.9873 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.8971 |
| Heavy Atoms | 22 |
| Complexity | 593.69586 |
Chemical Identifiers
| CAS Number | 533922-34-8 |
|---|---|
| SMILES | CCCCCC(=O)NC(=S)NC1=C(C=C(C=C1I)I)C(=O)O |
Product Overview
3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid (CAS 533922-34-8), with molecular formula C14H16I2N2O3S and molecular weight 545.90 g/mol. IUPAC: 2-(hexanoylcarbamothioylamino)-3,5-diiodobenzoic acid.
Chemical Property Profile of 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid
Property Insights of 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 3.9873 indicates that 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid has 3 hydrogen bond donor(s) and 3 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-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid is 533922-34-8.
What is the molecular formula of 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid is C14H16I2N2O3S.
What is the molecular weight of 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid is 545.90 g/mol.
Where can I buy 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 3,5-Diiodo-2-[[[(1-oxohexyl)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-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diiodo-2-[[[(1-oxohexyl)amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.