CAS RN: 320741-36-4
1-(3-BROMOPROPYL)-1H-INDOLE-2,3-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.20260331 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS320741-36-4
- Purity/Analytical Methods: >99.0%
320741-36-4 / 1-(3-bromopropyl)indole-2,3-dione
Basic Information
CAS
320741-36-4
Multi CAS
No
Molecular Formula
BC11H10O2Rn
Molecular Weight
268.110000
Exact Mass
266.989490
InChI
InChI=1S/C11H10BrNO2/c12-6-3-7-13-9-5-2-1-4-8(9)10(14)11(13)15/h1-2,4-5H,3,6-7H2
InChIKey
PEIZUEQKUGACKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
61.54
TPSA
37.38
LogP / Solubility
WLOGP
2
MLOGP
1.77
XLogP3
1.7
Consensus LogP
1.82
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.93
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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