![CAS 755002-90-5 2-[2-bromo-4-(propan-2-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/755002-90-5.gif)
CAS RN: 755002-90-5
2-[2-bromo-4-(propan-2-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
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.20251015 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-184958
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
755002-90-5 / 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
Basic Information
CAS
755002-90-5
Multi CAS
No
Molecular Formula
BC20H31O2Rn2
Molecular Weight
411.400000
Exact Mass
410.156890
InChI
InChI=1S/C20H31BrN2O2/c1-13(2)14-7-8-17(16(21)9-14)25-12-18(24)22-15-10-19(3,4)23-20(5,6)11-15/h7-9,13,15,23H,10-12H2,1-6H3,(H,22,24)
InChIKey
OTTDLWFVHQYRDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
106.18
TPSA
50.36
LogP / Solubility
WLOGP
4.38
MLOGP
3.88
XLogP3
4.4
Consensus LogP
4.22
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12
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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