![ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate structure](/static/products/4381/438196-00-0.webp)
ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate
TL;DR: ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate (CAS 438196-00-0) is a chemical compound with molecular formula C30H29N3O4S and molecular weight 527.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate
Also Known As: ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate, ethyl 3-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate, ethyl 3-(3-(2-(3-isobutoxyphenyl)quinoline-4-carbonyl)thioureido)benzoate, ETHYL 3-{[({[2-(3-ISOBUTOXYPHENYL)-4-QUINOLYL]CARBONYL}AMINO)CARBOTHIOYL]AMINO}BENZOATE, ethyl 3-{[({2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}benzoate
| Molecular Formula | C30H29N3O4S |
|---|---|
| Molecular Weight | 527.19 g/mol |
| LogP | 6.2401 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.18787 |
| Heavy Atoms | 38 |
| Complexity | 1485.6046 |
Chemical Identifiers
| CAS Number | 438196-00-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C |
Product Overview
ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate (CAS 438196-00-0), with molecular formula C30H29N3O4S and molecular weight 527.19 g/mol. IUPAC: ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate.
Chemical Property Profile of ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate
Property Insights of ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate
The XLogP value of 6.2401 indicates that ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate. Following Lipinski's Rule of Five, ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate?
The CAS number of ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate is 438196-00-0.
What is the molecular formula of ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate?
The molecular formula of ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate is C30H29N3O4S.
What is the molecular weight of ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate?
The molecular weight of ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate is 527.19 g/mol.
Where can I buy ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate?
You can request a quote for ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]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 ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.