Thioquinapiperifil dihydrochloride
TL;DR: Thioquinapiperifil dihydrochloride (CAS 204077-66-7) is a chemical compound with molecular formula C24H30Cl2N6OS and molecular weight 520.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
Also Known As: Thioquinapiperifil dihydrochloride, Thioquinapiperifil 2HCl, THIOQUINAPIPERIFIL (DIHYDROCHLORIDE), 3-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride, 2H-Imidazo(4,5-g)quinazoline-2-thione, 3-ethyl-1,3-dihydro-8-(((2-(4-(hydroxymethyl)-1-piperidinyl)phenyl)methyl)amino)-, dihydrochloride
| Molecular Formula | C24H30Cl2N6OS |
|---|---|
| Molecular Weight | 520.16 g/mol |
| LogP | 5.32639 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.1579 |
| Heavy Atoms | 34 |
| Complexity | 1316.0564 |
Chemical Identifiers
| CAS Number | 204077-66-7 |
|---|---|
| SMILES | CCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4N5CCC(CC5)CO)NC1=S.Cl.Cl |
Product Overview
Thioquinapiperifil dihydrochloride (CAS 204077-66-7), with molecular formula C24H30Cl2N6OS and molecular weight 520.16 g/mol. IUPAC: 3-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride.
Chemical Property Profile of Thioquinapiperifil dihydrochloride
Property Insights of Thioquinapiperifil dihydrochloride
The XLogP value of 5.32639 indicates that Thioquinapiperifil dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thioquinapiperifil dihydrochloride. Following Lipinski's Rule of Five, Thioquinapiperifil dihydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thioquinapiperifil dihydrochloride?
The CAS number of Thioquinapiperifil dihydrochloride is 204077-66-7.
What is the molecular formula of Thioquinapiperifil dihydrochloride?
The molecular formula of Thioquinapiperifil dihydrochloride is C24H30Cl2N6OS.
What is the molecular weight of Thioquinapiperifil dihydrochloride?
The molecular weight of Thioquinapiperifil dihydrochloride is 520.16 g/mol.
Where can I buy Thioquinapiperifil dihydrochloride?
You can request a quote for Thioquinapiperifil dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioquinapiperifil dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Thioquinapiperifil dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.