CAS RN: 864866-47-7
5-Bromo-2-isopropyl-2,3-dihydro-isoindol-1-one
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.20260615 | 100mg / 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS864866-47-7
- Purity/Analytical Methods: >99.0%
864866-47-7 / 5-bromo-2-propan-2-yl-3H-isoindol-1-one
Basic Information
CAS
864866-47-7
Multi CAS
Yes
Molecular Formula
BC11H12ORn
Molecular Weight
254.120000
Exact Mass
253.010230
InChI
InChI=1S/C11H12BrNO/c1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14/h3-5,7H,6H2,1-2H3
InChIKey
LWLIXVFOQPOESZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
59.15
TPSA
20.31
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
2.4
Consensus LogP
2.56
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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