![3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid structure](/static/products/5359/535949-06-5.webp)
3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid
TL;DR: 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid (CAS 535949-06-5) is a chemical compound with molecular formula C16H12BrClN2O4S and molecular weight 441.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-4-chlorobenzoic acid
Also Known As: 3-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID, 3-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-4-chlorobenzoic acid, 3-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]-4-chloro-benzoic Acid, 3-[[[[(4-Bromophenoxy)acetyl ]amino]thioxomethyl ]amino]-4-chloro-benzoic acid
| Molecular Formula | C16H12BrClN2O4S |
|---|---|
| Molecular Weight | 441.94 g/mol |
| LogP | 3.6927 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.93896 |
| Heavy Atoms | 25 |
| Complexity | 814.28204 |
Chemical Identifiers
| CAS Number | 535949-06-5 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Br |
Product Overview
3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid (CAS 535949-06-5), with molecular formula C16H12BrClN2O4S and molecular weight 441.94 g/mol. IUPAC: 3-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-4-chlorobenzoic acid.
Chemical Property Profile of 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid
Property Insights of 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid
The XLogP value of 3.6927 indicates that 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-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-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid. Following Lipinski's Rule of Five, 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-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 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid?
The CAS number of 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid is 535949-06-5.
What is the molecular formula of 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid?
The molecular formula of 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid is C16H12BrClN2O4S.
What is the molecular weight of 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid?
The molecular weight of 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid is 441.94 g/mol.
Where can I buy 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid?
You can request a quote for 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-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-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-4-chloro-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.