CAS RN: 7776-05-8
thioridazine-5-sulfoxide
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.20260422 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7776-05-8
- Purity/Analytical Methods: >99.0%
7776-05-8 / 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5-oxide
Basic Information
CAS
7776-05-8
Multi CAS
Yes
Molecular Formula
C21H26N2OS2
Molecular Weight
386.600000
Exact Mass
386.148656
InChI
InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26(24)21-11-10-17(25-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKey
XLDFFVBQCMLXIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
111.23
TPSA
23.55
LogP / Solubility
WLOGP
4.9
MLOGP
4.34
XLogP3
4.6
Consensus LogP
4.61
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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