![Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate structure](/static/products/4288/428837-97-2.webp)
Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate
TL;DR: Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate (CAS 428837-97-2) is a chemical compound with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-benzofuran-2-carbonylcarbamothioylamino)benzoate
Also Known As: methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate, methyl 2-(1-benzofuran-2-carbonylcarbamothioylamino)benzoate, methyl 2-(3-(benzofuran-2-carbonyl)thioureido)benzoate, Methyl 2-[[[(2-benzofuranylcarbonyl)amino]thioxomethyl]amino]benzoate, Methyl 2-{[(1-benzofuran-2-carbonyl)carbamothioyl]amino}benzoate
| Molecular Formula | C18H14N2O4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 3.3462 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.0674 |
| Heavy Atoms | 25 |
| Complexity | 931.37427 |
Chemical Identifiers
| CAS Number | 428837-97-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3O2 |
Product Overview
Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate (CAS 428837-97-2), with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol. IUPAC: methyl 2-(1-benzofuran-2-carbonylcarbamothioylamino)benzoate.
Chemical Property Profile of Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate
Property Insights of Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate
The XLogP value of 3.3462 indicates that Methyl 2-{[(1-benzofuran-2-ylcarbonyl)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 Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(1-benzofuran-2-ylcarbonyl)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 Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate?
The CAS number of Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate is 428837-97-2.
What is the molecular formula of Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate?
The molecular formula of Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate is C18H14N2O4S.
What is the molecular weight of Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate?
The molecular weight of Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate is 354.07 g/mol.
Where can I buy Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate?
You can request a quote for Methyl 2-{[(1-benzofuran-2-ylcarbonyl)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 Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.