![3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid structure](/static/products/5369/536986-83-1.webp)
3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid
TL;DR: 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid (CAS 536986-83-1) is a chemical compound with molecular formula C17H13Br3N2O4S and molecular weight 577.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3,5-dibromo-2-[[[amino]thioxomethyl]amino]-benzoicacid, 3,5-DIBROMO-2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3,5-dibromo-2-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid, 3,5-dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid, 3,5-Dibromo-2-[[[(3-bromo-4-ethoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid
| Molecular Formula | C17H13Br3N2O4S |
|---|---|
| Molecular Weight | 577.81 g/mol |
| LogP | 5.1978 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 577.81464 |
| Heavy Atoms | 27 |
| Complexity | 921.2918 |
Chemical Identifiers
| CAS Number | 536986-83-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2Br)Br)C(=O)O)Br |
Product Overview
3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid (CAS 536986-83-1), with molecular formula C17H13Br3N2O4S and molecular weight 577.81 g/mol. IUPAC: 3,5-dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid
Property Insights of 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 5.1978 indicates that 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]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-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]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-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid is 536986-83-1.
What is the molecular formula of 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid is C17H13Br3N2O4S.
What is the molecular weight of 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid is 577.81 g/mol.
Where can I buy 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]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-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.