![3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid structure](/static/products/5359/535946-63-5.webp)
3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid
TL;DR: 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid (CAS 535946-63-5) is a chemical compound with molecular formula C17H13Br2ClN2O4S and molecular weight 533.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid, 3,5-dibromo-2-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]benzoic acid, 3,5-Dibromo-2-[[[(3-chloro-4-ethoxybenzoyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C17H13Br2ClN2O4S |
|---|---|
| Molecular Weight | 533.87 g/mol |
| LogP | 5.0887 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 533.8651 |
| Heavy Atoms | 27 |
| Complexity | 924.0467 |
Chemical Identifiers
| CAS Number | 535946-63-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2Br)Br)C(=O)O)Cl |
Product Overview
3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid (CAS 535946-63-5), with molecular formula C17H13Br2ClN2O4S and molecular weight 533.87 g/mol. IUPAC: 3,5-dibromo-2-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid
Property Insights of 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid
The XLogP value of 5.0887 indicates that 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]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-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid. Following Lipinski's Rule of Five, 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]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-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid?
The CAS number of 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid is 535946-63-5.
What is the molecular formula of 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid?
The molecular formula of 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid is C17H13Br2ClN2O4S.
What is the molecular weight of 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid?
The molecular weight of 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid is 533.87 g/mol.
Where can I buy 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid?
You can request a quote for 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]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-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dibromo-2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.