CAS RN: 314-03-4
pimethixene
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.20260316 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS314-03-4
- Purity/Analytical Methods: >99.0%
314-03-4 / 1-methyl-4-thioxanthen-9-ylidenepiperidine
Basic Information
CAS
314-03-4
Multi CAS
Yes
Molecular Formula
C19H19NS
Molecular Weight
293.400000
Exact Mass
293.123821
InChI
InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3
InChIKey
NZLVRVYNQYGMAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.26
H-bond acceptors
2
Molar refractivity
89.76
TPSA
3.24
LogP / Solubility
WLOGP
4.68
MLOGP
4.13
XLogP3
3.9
Consensus LogP
4.24
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19
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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