CAS RN: 34921-60-3
5-BroMo-7-ethylindoline-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.20250214 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS34921-60-3
- Purity/Analytical Methods: >99.0%
34921-60-3 / 5-bromo-7-ethyl-1H-indole-2,3-dione
Basic Information
CAS
34921-60-3
Multi CAS
No
Molecular Formula
BC10H8O2Rn
Molecular Weight
254.080000
Exact Mass
252.973840
InChI
InChI=1S/C10H8BrNO2/c1-2-5-3-6(11)4-7-8(5)12-10(14)9(7)13/h3-4H,2H2,1H3,(H,12,13,14)
InChIKey
CTGQHGOEVARVKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.48
TPSA
46.17
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
2.2
Consensus LogP
2.08
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-2.75
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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