![5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid structure](/static/products/5359/535979-49-8.webp)
5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid
TL;DR: 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 535979-49-8) is a chemical compound with molecular formula C16H12Br2N2O4S and molecular weight 485.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 5-bromo-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid, 5-BROMO-2-[[[[ ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 5-bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid, 5-bromo-2-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 5-Bromo-2-[[[[(4-bromophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C16H12Br2N2O4S |
|---|---|
| Molecular Weight | 485.89 g/mol |
| LogP | 3.8018 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.88846 |
| Heavy Atoms | 25 |
| Complexity | 812.28204 |
Chemical Identifiers
| CAS Number | 535979-49-8 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O)Br |
Product Overview
5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 535979-49-8), with molecular formula C16H12Br2N2O4S and molecular weight 485.89 g/mol. IUPAC: 5-bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid
Property Insights of 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid
The XLogP value of 3.8018 indicates that 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]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 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid?
The CAS number of 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid is 535979-49-8.
What is the molecular formula of 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular formula of 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid is C16H12Br2N2O4S.
What is the molecular weight of 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular weight of 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid is 485.89 g/mol.
Where can I buy 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid?
You can request a quote for 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]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 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.