![2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid structure](/static/products/5329/532939-85-8.webp)
2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid
TL;DR: 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid (CAS 532939-85-8) is a chemical compound with molecular formula C13H14I2N2O3S and molecular weight 531.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethylpropanoylcarbamothioylamino)-3,5-diiodobenzoic acid
Also Known As: 2-(2,2-dimethylpropanoylcarbamothioylamino)-3,5-diiodobenzoic acid, 2-(2,2-dimethylpropanoylthiocarbamoylamino)-3,5-diiodo-benzoic Acid, 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID, 2-[[[(2,2-DIMETHYL-1-OXOPROPYL)AMINO]THIOXOMETHYL ]AMINO]-3,5-DIIODO-BENZOIC ACID
| Molecular Formula | C13H14I2N2O3S |
|---|---|
| Molecular Weight | 531.88 g/mol |
| LogP | 3.4531 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 531.8815 |
| Heavy Atoms | 21 |
| Complexity | 612.1693 |
Chemical Identifiers
| CAS Number | 532939-85-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC(=S)NC1=C(C=C(C=C1I)I)C(=O)O |
Product Overview
2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid (CAS 532939-85-8), with molecular formula C13H14I2N2O3S and molecular weight 531.88 g/mol. IUPAC: 2-(2,2-dimethylpropanoylcarbamothioylamino)-3,5-diiodobenzoic acid.
Chemical Property Profile of 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid
Property Insights of 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid
The XLogP value of 3.4531 indicates that 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-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 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid. Following Lipinski's Rule of Five, 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-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 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
The CAS number of 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is 532939-85-8.
What is the molecular formula of 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
The molecular formula of 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is C13H14I2N2O3S.
What is the molecular weight of 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
The molecular weight of 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is 531.88 g/mol.
Where can I buy 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
You can request a quote for 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-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-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[(2,2-Dimethyl-1-oxopropyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.