CAS RN: 329216-63-9
QUETIAPINE SULFOXIDE
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS329216-63-9
- Purity/Analytical Methods: >99.0%
329216-63-9 / 2-[2-[4-[(11S)-11-oxobenzo[b][1,4]benzothiazepin-6-yl]piperazin-1-yl]ethoxy]ethanol
Basic Information
CAS
329216-63-9
Multi CAS
No
Molecular Formula
C21H25N3O3S
Molecular Weight
399.500000
Exact Mass
399.161663
InChI
InChI=1S/C21H25N3O3S/c25-14-16-27-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)28(26)20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2/t28-/m0/s1
InChIKey
FXJNLPUSSHEDON-NDEPHWFRSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
109.67
TPSA
65.37
LogP / Solubility
WLOGP
1.87
MLOGP
1.67
XLogP3
0.9
Consensus LogP
1.48
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83
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
3.5
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![CAS 329218-11-3 ETHANOL, 2-[2-[4-(5-OXIDODIBENZO[B,F][1,4]THIAZEPIN-11-YL)-1-PIPERAZINYL]ETHOXY]- ,DIHYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/329218-11-3(1).gif)
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