![Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate structure](/static/products/4386/438613-47-9.webp)
Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
TL;DR: Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate (CAS 438613-47-9) is a chemical compound with molecular formula C28H24ClN3O3S and molecular weight 517.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
Also Known As: butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate, butyl 4-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]benzoate, butyl 4-(3-(2-(4-chlorophenyl)quinoline-4-carbonyl)thioureido)benzoate, butyl 4-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate, BUTYL 4-{[({[2-(4-CHLOROPHENYL)-4-QUINOLYL]CARBONYL}AMINO)CARBOTHIOYL]AMINO}BENZOATE
| Molecular Formula | C28H24ClN3O3S |
|---|---|
| Molecular Weight | 517.12 g/mol |
| LogP | 6.6389 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.1227 |
| Heavy Atoms | 36 |
| Complexity | 1406.2534 |
Chemical Identifiers
| CAS Number | 438613-47-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl |
Product Overview
Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate (CAS 438613-47-9), with molecular formula C28H24ClN3O3S and molecular weight 517.12 g/mol. IUPAC: butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate.
Chemical Property Profile of Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
Property Insights of Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
The XLogP value of 6.6389 indicates that Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
The CAS number of Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate is 438613-47-9.
What is the molecular formula of Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
The molecular formula of Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate is C28H24ClN3O3S.
What is the molecular weight of Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
The molecular weight of Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate is 517.12 g/mol.
Where can I buy Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
You can request a quote for Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.