![3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid structure](/static/products/5301/530133-76-7.webp)
3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
TL;DR: 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid (CAS 530133-76-7) is a chemical compound with molecular formula C16H10Br2Cl2N2O4S and molecular weight 553.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid, 3,5-dibromo-2-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid, 3,5-dibromo-2-[[2-(2,4-dichlorophenoxy)acetyl]thiocarbamoylamino]benzoic Acid
| Molecular Formula | C16H10Br2Cl2N2O4S |
|---|---|
| Molecular Weight | 553.81 g/mol |
| LogP | 5.1086 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 553.8105 |
| Heavy Atoms | 27 |
| Complexity | 927.53357 |
Chemical Identifiers
| CAS Number | 530133-76-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCC(=O)NC(=S)NC2=C(C=C(C=C2Br)Br)C(=O)O |
Product Overview
3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid (CAS 530133-76-7), with molecular formula C16H10Br2Cl2N2O4S and molecular weight 553.81 g/mol. IUPAC: 3,5-dibromo-2-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
Property Insights of 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
The XLogP value of 5.1086 indicates that 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-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 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid. Following Lipinski's Rule of Five, 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-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 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid?
The CAS number of 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid is 530133-76-7.
What is the molecular formula of 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid?
The molecular formula of 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid is C16H10Br2Cl2N2O4S.
What is the molecular weight of 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid?
The molecular weight of 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid is 553.81 g/mol.
Where can I buy 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid?
You can request a quote for 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-2-[[[[(2,4-dichlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.