CAS RN: 2368241-98-7
Vortioxetine Impurity 17
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.20260330 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2368241-98-7
- Purity/Analytical Methods: >99.0%
2368241-98-7 / 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]sulfanyl-2,4-dimethylbenzene
Basic Information
CAS
2368241-98-7
Multi CAS
No
Molecular Formula
C22H22S2
Molecular Weight
350.500000
Exact Mass
350.116293
SMILES
CC1=CC(=C(C=C1)SC2=CC=CC=C2SC3=C(C=C(C=C3)C)C)C
InChI
InChI=1S/C22H22S2/c1-15-9-11-19(17(3)13-15)23-21-7-5-6-8-22(21)24-20-12-10-16(2)14-18(20)4/h5-14H,1-4H3
InChIKey
GUUGINJEDAHMEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
106.52
TPSA
50.6000
LogP / Solubility
WLOGP
7.22
MLOGP
6.37
XLogP3
7.5
Consensus LogP
7.03
Log S (ESOL)
-6.85
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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