![Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate structure](/static/products/4256/425662-11-9.webp)
Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate
TL;DR: Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate (CAS 425662-11-9) is a chemical compound with molecular formula C16H16N2O3S2 and molecular weight 348.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-(thiophene-2-carbonylcarbamothioylamino)benzoate
Also Known As: propyl 4-(3-(thiophene-2-carbonyl)thioureido)benzoate, propyl 4-(thiophene-2-carbonylcarbamothioylamino)benzoate, propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate, PROPYL 4-({[(THIOPHEN-2-YL)FORMAMIDO]METHANETHIOYL}AMINO)BENZOATE
| Molecular Formula | C16H16N2O3S2 |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 3.4417 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.06024 |
| Heavy Atoms | 23 |
| Complexity | 681.8607 |
Chemical Identifiers
| CAS Number | 425662-11-9 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CS2 |
Product Overview
Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate (CAS 425662-11-9), with molecular formula C16H16N2O3S2 and molecular weight 348.06 g/mol. IUPAC: propyl 4-(thiophene-2-carbonylcarbamothioylamino)benzoate.
Chemical Property Profile of Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate
Property Insights of Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate
The XLogP value of 3.4417 indicates that Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Propyl 4-{[(thiophen-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 Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate?
The CAS number of Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate is 425662-11-9.
What is the molecular formula of Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate?
The molecular formula of Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate is C16H16N2O3S2.
What is the molecular weight of Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate?
The molecular weight of Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate is 348.06 g/mol.
Where can I buy Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate?
You can request a quote for Propyl 4-{[(thiophen-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 Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.