CAS RN: 55805-81-7
2,3,6,7,12,13-Hexabromotriptycene
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260622 | 100mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20250411 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250719 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250224 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250829 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: LINH887455
55805-81-7 / 4,5,11,12,17,18-hexabromopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
Basic Information
CAS
55805-81-7
Multi CAS
No
Molecular Formula
C20H8BR6
Molecular Weight
727.700000
Exact Mass
727.566480
InChI
InChI=1S/C20H8Br6/c21-13-1-7-8(2-14(13)22)20-11-5-17(25)15(23)3-9(11)19(7)10-4-16(24)18(26)6-12(10)20/h1-6,19-20H
InChIKey
FXRWLRSFZAHEEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.1
Molar refractivity
127.42
TPSA
0.0000
LogP / Solubility
WLOGP
9.25
MLOGP
8.2
XLogP3
9
Consensus LogP
8.82
Log S (ESOL)
-10.69
Class (ESOL)
Insoluble
Log S (Ali)
-12.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.07
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)
-0.59
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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