4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether
TL;DR: 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether (CAS 496768-75-3) is a chemical compound with molecular formula C18H18FNOS and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-fluorophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione
Also Known As: 4-fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether, AN-698/40929681, [2-[(4-fluorophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione
| Molecular Formula | C18H18FNOS |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 4.176 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.1093 |
| Heavy Atoms | 22 |
| Complexity | 650.39166 |
Chemical Identifiers
| CAS Number | 496768-75-3 |
|---|---|
| SMILES | C1CCN(C1)C(=S)C2=CC=CC=C2OCC3=CC=C(C=C3)F |
Product Overview
4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether (CAS 496768-75-3), with molecular formula C18H18FNOS and molecular weight 315.11 g/mol. IUPAC: [2-[(4-fluorophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione.
Chemical Property Profile of 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether
Property Insights of 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether
The XLogP value of 4.176 indicates that 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether has 0 hydrogen bond donor(s) and 2 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-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether?
The CAS number of 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether is 496768-75-3.
What is the molecular formula of 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether?
The molecular formula of 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether is C18H18FNOS.
What is the molecular weight of 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether?
The molecular weight of 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether is 315.11 g/mol.
Where can I buy 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether?
You can request a quote for 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzyl 2-(1-pyrrolidinylcarbothioyl)phenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.