CAS RN: 577779-57-8
TBBZ
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260620 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS577779-57-8
- Purity/Analytical Methods: >99.0%
577779-57-8 / 4,5,6,7-tetrabromo-1H-benzimidazole
Basic Information
CAS
577779-57-8
Multi CAS
No
Molecular Formula
C7H2BR4N2
Molecular Weight
433.720000
Exact Mass
433.691050
InChI
InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
InChIKey
LOEIRDBRYBHAJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.89
TPSA
28.68
LogP / Solubility
WLOGP
4.61
MLOGP
4.09
XLogP3
4.3
Consensus LogP
4.33
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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