Tisoquone
TL;DR: Tisoquone (CAS 40692-37-3) is a chemical compound with molecular formula C17H17NS and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-4-phenyl-2,3-dihydroisoquinoline-1-thione
Also Known As: Tisoquone, Tisoquone [INN], tisocuona, tisoquonum, 4-Ethyl-3,4-dihydro-4-phenylthioisocarbostyril
| Molecular Formula | C17H17NS |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 3.6614 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.1082 |
| Heavy Atoms | 19 |
| Complexity | 605.66895 |
Chemical Identifiers
| CAS Number | 40692-37-3 |
|---|---|
| SMILES | CCC1(CNC(=S)C2=CC=CC=C21)C3=CC=CC=C3 |
Product Overview
Tisoquone (CAS 40692-37-3), with molecular formula C17H17NS and molecular weight 267.11 g/mol. IUPAC: 4-ethyl-4-phenyl-2,3-dihydroisoquinoline-1-thione.
Chemical Property Profile of Tisoquone
Property Insights of Tisoquone
The XLogP value of 3.6614 indicates that Tisoquone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Tisoquone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tisoquone has 1 hydrogen bond donor(s) and 1 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 Tisoquone?
The CAS number of Tisoquone is 40692-37-3.
What is the molecular formula of Tisoquone?
The molecular formula of Tisoquone is C17H17NS.
What is the molecular weight of Tisoquone?
The molecular weight of Tisoquone is 267.11 g/mol.
Where can I buy Tisoquone?
You can request a quote for Tisoquone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tisoquone?
Yes, KEHONG BIO provides custom synthesis services for Tisoquone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.