![2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid structure](/static/products/5315/531540-83-7.webp)
2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid
TL;DR: 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid (CAS 531540-83-7) is a chemical compound with molecular formula C20H20I2N2O4S and molecular weight 637.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid
Also Known As: 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid, 3,5-diiodo-2-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 2-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL ]AMINO]THIOXOMETHYL ]AMINO]-3,5-DIIODO-BENZOIC ACID
| Molecular Formula | C20H20I2N2O4S |
|---|---|
| Molecular Weight | 637.92 g/mol |
| LogP | 4.7835 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 637.92334 |
| Heavy Atoms | 29 |
| Complexity | 940.7328 |
Chemical Identifiers
| CAS Number | 531540-83-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2I)I)C(=O)O |
Product Overview
2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid (CAS 531540-83-7), with molecular formula C20H20I2N2O4S and molecular weight 637.92 g/mol. IUPAC: 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid.
Chemical Property Profile of 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid
Property Insights of 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid
The XLogP value of 4.7835 indicates that 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic 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-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid. Following Lipinski's Rule of Five, 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic 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-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid?
The CAS number of 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid is 531540-83-7.
What is the molecular formula of 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid?
The molecular formula of 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid is C20H20I2N2O4S.
What is the molecular weight of 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid?
The molecular weight of 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid is 637.92 g/mol.
Where can I buy 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid?
You can request a quote for 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic 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-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.