![4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid structure](/static/products/5329/532980-35-1.webp)
4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid
TL;DR: 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid (CAS 532980-35-1) is a chemical compound with molecular formula C18H16Cl2N2O4S and molecular weight 426.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid, 4-CHLORO-3-[[[[ ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 4-chloro-3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 4-chloro-3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid, 4-Chloro-3-[[[[(4-chloro-3,5-dimethylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C18H16Cl2N2O4S |
|---|---|
| Molecular Weight | 426.02 g/mol |
| LogP | 4.20044 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.02078 |
| Heavy Atoms | 27 |
| Complexity | 895.2249 |
Chemical Identifiers
| CAS Number | 532980-35-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid (CAS 532980-35-1), with molecular formula C18H16Cl2N2O4S and molecular weight 426.02 g/mol. IUPAC: 4-chloro-3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid
Property Insights of 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid
The XLogP value of 4.20044 indicates that 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid 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-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid. Following Lipinski's Rule of Five, 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid 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-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid?
The CAS number of 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid is 532980-35-1.
What is the molecular formula of 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid?
The molecular formula of 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid is C18H16Cl2N2O4S.
What is the molecular weight of 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid?
The molecular weight of 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid is 426.02 g/mol.
Where can I buy 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid?
You can request a quote for 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-3-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.