![Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate structure](/static/products/591/591210-72-9.png)
Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate
TL;DR: Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate (CAS 591210-72-9) is a chemical compound with molecular formula C20H17ClN2O4S and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-(1-benzofuran-2-carbonylcarbamothioylamino)-2-chlorobenzoate
Also Known As: propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate, Benzoicacid,5-[[[ amino]thioxomethyl]amino]-2-chloro-,1-methylethylester, propan-2-yl 5-(1-benzofuran-2-carbonylcarbamothioylamino)-2-chlorobenzoate, Isopropyl 5-{[(1-benzo[b]furan-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate, ISOPROPYL 5-{[(1-BENZOFURAN-2-YLFORMAMIDO)METHANETHIOYL]AMINO}-2-CHLOROBENZOATE
| Molecular Formula | C20H17ClN2O4S |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 4.7782 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.05975 |
| Heavy Atoms | 28 |
| Complexity | 1028.2953 |
Chemical Identifiers
| CAS Number | 591210-72-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)Cl |
Product Overview
Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate (CAS 591210-72-9), with molecular formula C20H17ClN2O4S and molecular weight 416.06 g/mol. IUPAC: propan-2-yl 5-(1-benzofuran-2-carbonylcarbamothioylamino)-2-chlorobenzoate.
Chemical Property Profile of Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate
Property Insights of Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate
The XLogP value of 4.7782 indicates that Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate 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 Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate. Following Lipinski's Rule of Five, Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate 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 Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate?
The CAS number of Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate is 591210-72-9.
What is the molecular formula of Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate?
The molecular formula of Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate is C20H17ClN2O4S.
What is the molecular weight of Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate?
The molecular weight of Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate is 416.06 g/mol.
Where can I buy Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate?
You can request a quote for Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.