CAS RN: 3533-97-9
Perphenazine Related CoMpound B
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260109 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS3533-97-9
- Purity/Analytical Methods: >99.0%
3533-97-9 / 2-[4-(3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethanol
Basic Information
CAS
3533-97-9
Multi CAS
No
Molecular Formula
C21H27N3OS
Molecular Weight
369.500000
Exact Mass
369.187484
InChI
InChI=1S/C21H27N3OS/c25-17-16-23-14-12-22(13-15-23)10-5-11-24-18-6-1-3-8-20(18)26-21-9-4-2-7-19(21)24/h1-4,6-9,25H,5,10-17H2
InChIKey
RAUZVPIJXZDXLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
108.6
TPSA
29.95
LogP / Solubility
WLOGP
3.29
MLOGP
2.91
XLogP3
3.6
Consensus LogP
3.27
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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