![2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid structure](/static/products/5369/536977-65-8.webp)
2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid
TL;DR: 2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid (CAS 536977-65-8) is a chemical compound with molecular formula C18H16I2N2O4S and molecular weight 609.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid
Also Known As: 2-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid, 2-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]-3,5-di, 2-[[[[ ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID, 2-({[(3,4-Dimethylphenoxy)acetyl]carbamothioyl}amino)-3,5-diiodobenzoic acid, 2-[[[[(3,4-Dimethylphenoxy)acetyl ]amino]thioxomethyl ]amino]-3,5-diiodo-benzoic acid
| Molecular Formula | C18H16I2N2O4S |
|---|---|
| Molecular Weight | 609.89 g/mol |
| LogP | 4.10284 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 609.892 |
| Heavy Atoms | 27 |
| Complexity | 918.4749 |
Chemical Identifiers
| CAS Number | 536977-65-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2I)I)C(=O)O)C |
Product Overview
2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid (CAS 536977-65-8), with molecular formula C18H16I2N2O4S and molecular weight 609.89 g/mol. IUPAC: 2-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid.
Chemical Property Profile of 2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid
Property Insights of 2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid
The XLogP value of 4.10284 indicates that 2-[[2-(3,4-Dimethylphenoxy)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-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid. Following Lipinski's Rule of Five, 2-[[2-(3,4-Dimethylphenoxy)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-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid?
The CAS number of 2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid is 536977-65-8.
What is the molecular formula of 2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid?
The molecular formula of 2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid is C18H16I2N2O4S.
What is the molecular weight of 2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid?
The molecular weight of 2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid is 609.89 g/mol.
Where can I buy 2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid?
You can request a quote for 2-[[2-(3,4-Dimethylphenoxy)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-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(3,4-Dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.