CAS RN: 882679-16-5
7-bromo-6-methylindoline-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.20260101 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS882679-16-5
- Purity/Analytical Methods: >99.0%
882679-16-5 / 7-bromo-6-methyl-1H-indole-2,3-dione
Basic Information
CAS
882679-16-5
Multi CAS
No
Molecular Formula
BC9H6O2Rn
Molecular Weight
240.050000
Exact Mass
238.958190
InChI
InChI=1S/C9H6BrNO2/c1-4-2-3-5-7(6(4)10)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
InChIKey
DHJTTXFAQSTPSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.84
TPSA
46.17
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.8
Consensus LogP
1.79
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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