![Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate structure](/static/products/4284/428463-04-1.webp)
Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428463-04-1) is a chemical compound with molecular formula C25H32N2O6S and molecular weight 488.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate
Also Known As: butyl 4-(3-(3,4,5-triethoxybenzoyl)thioureido)benzoate, butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate, butyl 4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate, Butyl 4-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]benzoate
| Molecular Formula | C25H32N2O6S |
|---|---|
| Molecular Weight | 488.20 g/mol |
| LogP | 4.9664 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 488.19812 |
| Heavy Atoms | 34 |
| Complexity | 950.86633 |
Chemical Identifiers
| CAS Number | 428463-04-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC |
Product Overview
Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428463-04-1), with molecular formula C25H32N2O6S and molecular weight 488.20 g/mol. IUPAC: butyl 4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 4.9664 indicates that Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate has 2 hydrogen bond donor(s) and 7 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 Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 428463-04-1.
What is the molecular formula of Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is C25H32N2O6S.
What is the molecular weight of Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 488.20 g/mol.
Where can I buy Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)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-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.