![2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid structure](/static/products/5315/531542-91-3.webp)
2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid
TL;DR: 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid (CAS 531542-91-3) is a chemical compound with molecular formula C17H13BrI2N2O4S and molecular weight 673.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid
Also Known As: 2-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic Acid, 2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid, 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl ]amino]-3,5-diiodo-benzoic acid
| Molecular Formula | C17H13BrI2N2O4S |
|---|---|
| Molecular Weight | 673.79 g/mol |
| LogP | 4.882 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 673.78687 |
| Heavy Atoms | 27 |
| Complexity | 924.0467 |
Chemical Identifiers
| CAS Number | 531542-91-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2I)I)C(=O)O)Br |
Product Overview
2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid (CAS 531542-91-3), with molecular formula C17H13BrI2N2O4S and molecular weight 673.79 g/mol. IUPAC: 2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid.
Chemical Property Profile of 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid
Property Insights of 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid
The XLogP value of 4.882 indicates that 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid. Following Lipinski's Rule of Five, 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
The CAS number of 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is 531542-91-3.
What is the molecular formula of 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
The molecular formula of 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is C17H13BrI2N2O4S.
What is the molecular weight of 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
The molecular weight of 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is 673.79 g/mol.
Where can I buy 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
You can request a quote for 2-[[[(3-Bromo-4-ethoxybenzoyl)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-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[(3-Bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.