![4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5324/532429-75-7.webp)
4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
TL;DR: 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid (CAS 532429-75-7) is a chemical compound with molecular formula C16H13BrN2O4S and molecular weight 407.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 4-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID, 4-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid, 4-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 4-[[[[(4-Bromophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C16H13BrN2O4S |
|---|---|
| Molecular Weight | 407.98 g/mol |
| LogP | 3.0393 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.97794 |
| Heavy Atoms | 24 |
| Complexity | 747.6777 |
Chemical Identifiers
| CAS Number | 532429-75-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=S)NC(=O)COC2=CC=C(C=C2)Br |
Product Overview
4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid (CAS 532429-75-7), with molecular formula C16H13BrN2O4S and molecular weight 407.98 g/mol. IUPAC: 4-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
Property Insights of 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 3.0393 indicates that 4-[[[[(4-Bromophenoxy)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 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-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 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is 532429-75-7.
What is the molecular formula of 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is C16H13BrN2O4S.
What is the molecular weight of 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is 407.98 g/mol.
Where can I buy 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 4-[[[[(4-Bromophenoxy)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 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[[[(4-Bromophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.