![Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate structure](/static/products/4288/428852-91-9.webp)
Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate (CAS 428852-91-9) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate
Also Known As: AB00110183-01, propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate, propyl 4-(3-(3-methylbenzofuran-2-carbonyl)thioureido)benzoate, propyl 4-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 4.43482 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 1024.5665 |
Chemical Identifiers
| CAS Number | 428852-91-9 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C |
Product Overview
Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate (CAS 428852-91-9), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: propyl 4-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate.
Chemical Property Profile of Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 4.43482 indicates that Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate has 2 hydrogen bond donor(s) and 5 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 Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate is 428852-91-9.
What is the molecular formula of Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate is C21H20N2O4S.
What is the molecular weight of Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate is 396.11 g/mol.
Where can I buy Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Propyl 4-({[(3-methyl-1-benzofuran-2-yl)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 Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.