CAS RN: 91182-54-6
3-Bromo-1-(4-methylphenyl)-1H-pyrrole-2,5-dione
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.20260608 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS91182-54-6
- Purity/Analytical Methods: >99.0%
91182-54-6 / 3-bromo-1-(4-methylphenyl)pyrrole-2,5-dione
Basic Information
CAS
91182-54-6
Multi CAS
No
Molecular Formula
BC11H8O2Rn
Molecular Weight
266.090000
Exact Mass
264.973840
InChI
InChI=1S/C11H8BrNO2/c1-7-2-4-8(5-3-7)13-10(14)6-9(12)11(13)15/h2-6H,1H3
InChIKey
RFSNLWFBCFOZHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.68
TPSA
37.38
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
2.3
Consensus LogP
2.12
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82
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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