![CAS 508233-76-9 1-[2-[(2,6-diMethylphenyl)thio]phenyl]- Piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/508233-76-9.gif)
CAS RN: 508233-76-9
1-[2-[(2,6-diMethylphenyl)thio]phenyl]- Piperazine
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.20250202 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-157571
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
508233-76-9 / 1-[2-(2,6-dimethylphenyl)sulfanylphenyl]piperazine
Basic Information
CAS
508233-76-9
Multi CAS
No
Molecular Formula
C18H22N2S
Molecular Weight
298.400000
Exact Mass
298.150370
InChI
InChI=1S/C18H22N2S/c1-14-6-5-7-15(2)18(14)21-17-9-4-3-8-16(17)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3
InChIKey
SFYCEIJJEIQWEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.56
TPSA
15.27
LogP / Solubility
WLOGP
3.86
MLOGP
3.41
XLogP3
4.2
Consensus LogP
3.82
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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