TPSF
TL;DR: TPSF (CAS 6505-98-2) is a chemical compound with molecular formula C17H17FN4O2S2 and molecular weight 392.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Also Known As: TPSF, 6-Thio-8-(3'-p-fluorobenzoylpropyl)thiotheophylline, Theophylline, 8-(3-p-fluorobenzoylpropyl)thio-6-thio-, Butyrophenone, p-fluoro-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2-oxo-6-thionopurin-8-ylthio)-, 8-[[3-(p-Fluorobenzoyl)propyl]thio]theophylline
| Molecular Formula | C17H17FN4O2S2 |
|---|---|
| Molecular Weight | 392.08 g/mol |
| LogP | 3.22389 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.0777 |
| Heavy Atoms | 26 |
| Complexity | 1083.0664 |
Chemical Identifiers
| CAS Number | 6505-98-2 |
|---|---|
| SMILES | CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCCC(=O)C3=CC=C(C=C3)F |
Product Overview
TPSF (CAS 6505-98-2), with molecular formula C17H17FN4O2S2 and molecular weight 392.08 g/mol. IUPAC: 8-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one.
Chemical Property Profile of TPSF
Property Insights of TPSF
The XLogP value of 3.22389 indicates that TPSF is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for TPSF. Following Lipinski's Rule of Five, TPSF has 1 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 TPSF?
The CAS number of TPSF is 6505-98-2.
What is the molecular formula of TPSF?
The molecular formula of TPSF is C17H17FN4O2S2.
What is the molecular weight of TPSF?
The molecular weight of TPSF is 392.08 g/mol.
Where can I buy TPSF?
You can request a quote for TPSF directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TPSF?
Yes, KEHONG BIO provides custom synthesis services for TPSF and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.