S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate
TL;DR: S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate (CAS 618074-96-7) is a chemical compound with molecular formula C16H15FO2S and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate
Also Known As: S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate, S-p-tolyl 2-(4-fluorophenoxy)propanethioate, AF-399/41899884, 2-(4-fluorophenoxy)-1-(4-methylphenylthio)propan-1-one
| Molecular Formula | C16H15FO2S |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 4.22032 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.07767 |
| Heavy Atoms | 20 |
| Complexity | 578.4308 |
Chemical Identifiers
| CAS Number | 618074-96-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)C(C)OC2=CC=C(C=C2)F |
Product Overview
S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate (CAS 618074-96-7), with molecular formula C16H15FO2S and molecular weight 290.08 g/mol. IUPAC: S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate.
Chemical Property Profile of S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate
Property Insights of S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate
The XLogP value of 4.22032 indicates that S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate 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 S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate?
The CAS number of S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate is 618074-96-7.
What is the molecular formula of S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate?
The molecular formula of S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate is C16H15FO2S.
What is the molecular weight of S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate?
The molecular weight of S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate is 290.08 g/mol.
Where can I buy S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate?
You can request a quote for S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-methylphenyl) 2-(4-fluorophenoxy)propanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.