CAS RN: 852534-22-6
4,4′-Dibromo-4”-tert-butyltriphenylamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251030 | 200mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-193565
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 | Shanghai | Inquiry |
852534-22-6 / N,N-bis(4-bromophenyl)-4-tert-butylaniline
Basic Information
CAS
852534-22-6
Multi CAS
No
Molecular Formula
C22H21BR2N
Molecular Weight
459.200000
Exact Mass
459.002030
InChI
InChI=1S/C22H21Br2N/c1-22(2,3)16-4-10-19(11-5-16)25(20-12-6-17(23)7-13-20)21-14-8-18(24)9-15-21/h4-15H,1-3H3
InChIKey
KKLLWAUOZGXWDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
115.23
TPSA
3.24
LogP / Solubility
WLOGP
7.98
MLOGP
7.05
XLogP3
8.2
Consensus LogP
7.74
Log S (ESOL)
-8.05
Class (ESOL)
Insoluble
Log S (Ali)
-9.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.63
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.14
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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