4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate
TL;DR: 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate (CAS 443894-97-1) is a chemical compound with molecular formula C19H18FNO2S and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(piperidine-1-carbothioyl)phenyl] 2-fluorobenzoate
Also Known As: 4-(piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate, [4-(piperidine-1-carbothioyl)phenyl] 2-fluorobenzoate, 4-(1-piperidinylcarbonothioyl)phenyl 2-fluorobenzoate, 4-(piperidine-1-carbonothioyl)phenyl 2-fluorobenzoate
| Molecular Formula | C19H18FNO2S |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 4.2063 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.10422 |
| Heavy Atoms | 24 |
| Complexity | 739.2869 |
Chemical Identifiers
| CAS Number | 443894-97-1 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F |
Product Overview
4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate (CAS 443894-97-1), with molecular formula C19H18FNO2S and molecular weight 343.10 g/mol. IUPAC: [4-(piperidine-1-carbothioyl)phenyl] 2-fluorobenzoate.
Chemical Property Profile of 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate
Property Insights of 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate
The XLogP value of 4.2063 indicates that 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate has 0 hydrogen bond donor(s) and 3 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 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate?
The CAS number of 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate is 443894-97-1.
What is the molecular formula of 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate?
The molecular formula of 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate is C19H18FNO2S.
What is the molecular weight of 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate?
The molecular weight of 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate is 343.10 g/mol.
Where can I buy 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate?
You can request a quote for 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Piperidin-1-ylcarbonothioyl)phenyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.