![butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate structure](/static/products/4452/445237-53-6.webp)
butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
TL;DR: butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate (CAS 445237-53-6) is a chemical compound with molecular formula C31H31N3O4S and molecular weight 541.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
Also Known As: butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate, butyl 4-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate, butyl 4-(3-(2-(3-isopropoxyphenyl)quinoline-4-carbonyl)thioureido)benzoate, BUTYL 4-{[({[2-(3-ISOPROPOXYPHENYL)-4-QUINOLYL]CARBONYL}AMINO)CARBOTHIOYL]AMINO}BENZOATE, butyl 4-{[({2-[3-(propan-2-yloxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}benzoate
| Molecular Formula | C31H31N3O4S |
|---|---|
| Molecular Weight | 541.20 g/mol |
| LogP | 6.7727 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 541.20355 |
| Heavy Atoms | 39 |
| Complexity | 1485.2068 |
Chemical Identifiers
| CAS Number | 445237-53-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC(C)C |
Product Overview
butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate (CAS 445237-53-6), with molecular formula C31H31N3O4S and molecular weight 541.20 g/mol. IUPAC: butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate.
Chemical Property Profile of butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
Property Insights of butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
The XLogP value of 6.7727 indicates that butyl 4-[[2-(3-propan-2-yloxyphenyl)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 butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate. Following Lipinski's Rule of Five, butyl 4-[[2-(3-propan-2-yloxyphenyl)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 butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
The CAS number of butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate is 445237-53-6.
What is the molecular formula of butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
The molecular formula of butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate is C31H31N3O4S.
What is the molecular weight of butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
The molecular weight of butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate is 541.20 g/mol.
Where can I buy butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
You can request a quote for butyl 4-[[2-(3-propan-2-yloxyphenyl)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-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.