![CAS 21850-44-2 2,2-Bis[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2022-jpgcontextbwfzdgvyfhjvb3r8mtu1odf8aw1hz2uvanblz3xootkvagi3lzkyndk4oty5odg3mdivqjiwmjiuanbnfgjjndu3zjaymtdimdayngviotrjmwvkmdzjztkzmwfimtrintnjowu2nme5mze3ogvjzthmnzjmzdfjodkyzda.jpeg)
CAS RN: 21850-44-2
2,2-Bis[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propane
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250716 | 25g / 100g / 500g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-105295
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: 500g
- 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 |
|---|---|---|---|---|
| 500g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
21850-44-2 / 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene
Basic Information
CAS
21850-44-2
Multi CAS
No
Molecular Formula
C21H20Br8O2
Molecular Weight
943.600000
Exact Mass
943.484830
SMILES
CC(C)(C1=CC(=C(C(=C1)Br)OCC(CBr)Br)Br)C2=CC(=C(C(=C2)Br)OCC(CBr)Br)Br
InChI
InChI=1S/C21H20Br8O2/c1-21(2,11-3-15(26)19(16(27)4-11)30-9-13(24)7-22)12-5-17(28)20(18(29)6-12)31-10-14(25)8-23/h3-6,13-14H,7-10H2,1-2H3
InChIKey
LXIZRZRTWSDLKK-UHFFFAOYSA-N
Physical Properties
Physical Description
Other Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
159.82
TPSA
18.46
LogP / Solubility
WLOGP
10.14
MLOGP
9.01
XLogP3
10.6
Consensus LogP
9.92
Log S (ESOL)
-11.7
Class (ESOL)
Insoluble
Log S (Ali)
-14.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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