CAS RN: 204077-66-7
Thioquinapiperifil Dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250622 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS204077-66-7
- Purity/Analytical Methods: >99.0%
204077-66-7 / 3-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
Basic Information
CAS
204077-66-7
Multi CAS
No
Molecular Formula
C24H30Cl2N6OS
Molecular Weight
521.500000
Exact Mass
520.157886
SMILES
CCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4N5CCC(CC5)CO)NC1=S.Cl.Cl
InChI
InChI=1S/C24H28N6OS.2ClH/c1-2-30-22-12-19-18(11-20(22)28-24(30)32)23(27-15-26-19)25-13-17-5-3-4-6-21(17)29-9-7-16(14-31)8-10-29;;/h3-6,11-12,15-16,31H,2,7-10,13-14H2,1H3,(H,28,32)(H,25,26,27);2*1H
InChIKey
YWGNFHIWAHNADT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
19
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
3
Molar refractivity
146.18
TPSA
82
LogP / Solubility
WLOGP
5.33
MLOGP
4.73
XLogP3
5.33
Consensus LogP
5.13
Log S (ESOL)
-6.45
Class (ESOL)
Insoluble
Log S (Ali)
-7.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.19
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
