CAS RN: 91026-00-5
N-BENZYL-2 3-DIBROMOMALEIMIDE 97
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250416 | 100mg / 250mg / 1g / 5g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS91026-00-5
- Purity/Analytical Methods: >99.0%
91026-00-5 / 1-benzyl-3,4-dibromopyrrole-2,5-dione
Basic Information
CAS
91026-00-5
Multi CAS
No
Molecular Formula
C11H7BR2NO2
Molecular Weight
344.990000
Exact Mass
344.882300
InChI
InChI=1S/C11H7Br2NO2/c12-8-9(13)11(16)14(10(8)15)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
DZYLZHRCCNTQCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
66.88
TPSA
37.38
LogP / Solubility
WLOGP
2.56
MLOGP
2.27
XLogP3
2.8
Consensus LogP
2.54
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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