![Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate structure](/static/products/4336/433699-44-6.webp)
Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate
TL;DR: Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate (CAS 433699-44-6) is a chemical compound with molecular formula C16H15ClN2O4S and molecular weight 366.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-5-(furan-2-carbonylcarbamothioylamino)benzoate
Also Known As: isopropyl 2-chloro-5-(3-(furan-2-carbonyl)thioureido)benzoate, propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate, propan-2-yl 2-chloro-5-(furan-2-carbonylcarbamothioylamino)benzoate, ISOPROPYL 2-CHLORO-5-({[(2-FURYLCARBONYL)AMINO]CARBOTHIOYL}AMINO)BENZOATE, ISOPROPYL 2-CHLORO-5-{[(FURAN-2-YLFORMAMIDO)METHANETHIOYL]AMINO}BENZOATE
| Molecular Formula | C16H15ClN2O4S |
|---|---|
| Molecular Weight | 366.04 g/mol |
| LogP | 3.625 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.0441 |
| Heavy Atoms | 24 |
| Complexity | 759.4428 |
Chemical Identifiers
| CAS Number | 433699-44-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CO2)Cl |
Product Overview
Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate (CAS 433699-44-6), with molecular formula C16H15ClN2O4S and molecular weight 366.04 g/mol. IUPAC: propan-2-yl 2-chloro-5-(furan-2-carbonylcarbamothioylamino)benzoate.
Chemical Property Profile of Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate
Property Insights of Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate
The XLogP value of 3.625 indicates that Propan-2-yl 2-chloro-5-{[(furan-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 Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Propan-2-yl 2-chloro-5-{[(furan-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 Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate?
The CAS number of Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate is 433699-44-6.
What is the molecular formula of Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate?
The molecular formula of Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate is C16H15ClN2O4S.
What is the molecular weight of Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate?
The molecular weight of Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate is 366.04 g/mol.
Where can I buy Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate?
You can request a quote for Propan-2-yl 2-chloro-5-{[(furan-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 Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-chloro-5-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.