![2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid structure](/static/products/5339/533922-53-1.webp)
2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid
TL;DR: 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid (CAS 533922-53-1) is a chemical compound with molecular formula C18H17IN2O4S and molecular weight 484.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid
Also Known As: 2-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid, 2-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)-5-iodobenzoic acid, 2-[[2-(3,5-dimethylphenoxy)acetyl]thiocarbamoylamino]-5-iodo-benzoic Acid, 2-[[[[(3,5-Dimethylphenoxy)acetyl ]amino]thioxomethyl ]amino]-5-iodo-benzoic acid
| Molecular Formula | C18H17IN2O4S |
|---|---|
| Molecular Weight | 484.00 g/mol |
| LogP | 3.49824 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.9954 |
| Heavy Atoms | 26 |
| Complexity | 850.0148 |
Chemical Identifiers
| CAS Number | 533922-53-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)C |
Product Overview
2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid (CAS 533922-53-1), with molecular formula C18H17IN2O4S and molecular weight 484.00 g/mol. IUPAC: 2-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid.
Chemical Property Profile of 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid
Property Insights of 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid
The XLogP value of 3.49824 indicates that 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic 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-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid. Following Lipinski's Rule of Five, 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid?
The CAS number of 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid is 533922-53-1.
What is the molecular formula of 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid?
The molecular formula of 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid is C18H17IN2O4S.
What is the molecular weight of 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid?
The molecular weight of 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid is 484.00 g/mol.
Where can I buy 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid?
You can request a quote for 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic 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-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.