![3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid structure](/static/products/5315/531538-35-9.webp)
3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid
TL;DR: 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid (CAS 531538-35-9) is a chemical compound with molecular formula C18H15Cl3N2O4S and molecular weight 459.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid, 3,5-DICHLORO-2-[[[[ ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3,5-dichloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 3,5-dichloro-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid, 3,5-Dichloro-2-[[[[(4-chloro-3,5-dimethylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C18H15Cl3N2O4S |
|---|---|
| Molecular Weight | 459.98 g/mol |
| LogP | 4.85384 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.9818 |
| Heavy Atoms | 28 |
| Complexity | 943.0823 |
Chemical Identifiers
| CAS Number | 531538-35-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O |
Product Overview
3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid (CAS 531538-35-9), with molecular formula C18H15Cl3N2O4S and molecular weight 459.98 g/mol. IUPAC: 3,5-dichloro-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid
Property Insights of 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid
The XLogP value of 4.85384 indicates that 3,5-dichloro-2-[[[[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 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid. Following Lipinski's Rule of Five, 3,5-dichloro-2-[[[[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 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid?
The CAS number of 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid is 531538-35-9.
What is the molecular formula of 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid?
The molecular formula of 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid is C18H15Cl3N2O4S.
What is the molecular weight of 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid?
The molecular weight of 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid is 459.98 g/mol.
Where can I buy 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid?
You can request a quote for 3,5-dichloro-2-[[[[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 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dichloro-2-[[[[acetyl]amino]thioxomethyl]amino]-benzoicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.