CAS RN: 22385-77-9
1-Bromo-3,5-di-tert-butylbenzene
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.20251211 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-109120
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: ≥98%, ≥95%
- Inventory rows with stock: 18
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 100g | -- | 3 In Stock | Hong Kong | Inquiry |
| 100g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 500g | -- | 2 In Stock | Hong Kong | Inquiry |
| 500g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 5g | -- | 1 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 10g | -- | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 25g | -- | 1 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | -- | 0 Out of Stock | Beijing | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
22385-77-9 / 1-bromo-3,5-ditert-butylbenzene
Basic Information
CAS
22385-77-9
Multi CAS
No
Molecular Formula
C14H21Br
Molecular Weight
269.220000
Exact Mass
268.082660
SMILES
CC(C)(C)C1=CC(=CC(=C1)Br)C(C)(C)C
InChI
InChI=1S/C14H21Br/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3
InChIKey
BUOWTUULDKULFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
Molar refractivity
71.54
TPSA
0.0000
LogP / Solubility
WLOGP
5.04
MLOGP
4.45
XLogP3
6
Consensus LogP
5.16
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
