CAS RN: 329216-65-1
Quetiapine Sulfone
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260405 | 10mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINQ927066
329216-65-1 / 2-[2-[4-(11,11-dioxobenzo[b][1,4]benzothiazepin-6-yl)piperazin-1-yl]ethoxy]ethanol
Basic Information
CAS
329216-65-1
Multi CAS
Yes
Molecular Formula
C21H25N3O4S
Molecular Weight
415.500000
Exact Mass
415.156577
InChI
InChI=1S/C21H25N3O4S/c25-14-16-28-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)29(26,27)20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
InChIKey
SQUTWXZEWJNIQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
110.45
TPSA
82.44
LogP / Solubility
WLOGP
1.54
MLOGP
1.38
XLogP3
0.9
Consensus LogP
1.27
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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