![2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid structure](/static/products/5315/531533-08-1.webp)
2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid
TL;DR: 2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid (CAS 531533-08-1) is a chemical compound with molecular formula C17H13Br2IN2O4S and molecular weight 625.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid
Also Known As: 2-[[[[acetyl]amino]thioxomethyl]amino]-5-iodo-benzoicacid, 2-[[[[ ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOICACID, 2-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]thiocarbamoylamino]-5-iodo-benzoic Acid, 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid, 2-[[[[(2,4-DIBROMO-6-METHYLPHENOXY)ACETYL ]AMINO]THIOXOMETHYL ]AMINO]-5-IODO-BENZOIC ACID
| Molecular Formula | C17H13Br2IN2O4S |
|---|---|
| Molecular Weight | 625.80 g/mol |
| LogP | 4.71482 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 625.8007 |
| Heavy Atoms | 27 |
| Complexity | 900.7967 |
Chemical Identifiers
| CAS Number | 531533-08-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)Br)Br |
Product Overview
2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid (CAS 531533-08-1), with molecular formula C17H13Br2IN2O4S and molecular weight 625.80 g/mol. IUPAC: 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid.
Chemical Property Profile of 2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid
Property Insights of 2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid
The XLogP value of 4.71482 indicates that 2-[[2-(2,4-Dibromo-6-methylphenoxy)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-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid. Following Lipinski's Rule of Five, 2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic 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-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid?
The CAS number of 2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid is 531533-08-1.
What is the molecular formula of 2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid?
The molecular formula of 2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid is C17H13Br2IN2O4S.
What is the molecular weight of 2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid?
The molecular weight of 2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid is 625.80 g/mol.
Where can I buy 2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid?
You can request a quote for 2-[[2-(2,4-Dibromo-6-methylphenoxy)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-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.