CAS RN: 106976-23-2
5-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.20251103 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: LINB847881
106976-23-2 / 5-bromo-6-methyl-1H-indole-2,3-dione
5-Bromo-6-methylindoline-2,3-dione | 5-BROMO-6-METHYL-1H-INDOLE-2,3-DIONE | MFCD04038978
Basic Information
CAS
106976-23-2
Multi CAS
No
Molecular Formula
C9H6BrNO2
Molecular Weight
240.050000
Exact Mass
238.958190
SMILES
CC1=CC2=C(C=C1Br)C(=O)C(=O)N2
InChI
InChI=1S/C9H6BrNO2/c1-4-2-7-5(3-6(4)10)8(12)9(13)11-7/h2-3H,1H3,(H,11,12,13)
InChIKey
OMOFYMXAJLMJLV-UHFFFAOYSA-N
Synonyms
5-Bromo-6-methylindoline-2,3-dione
5-BROMO-6-METHYL-1H-INDOLE-2,3-DIONE
MFCD04038978
5-bromo-6-methyl-2,3-dihydro-1H-indole-2,3-dione
1H-Indole-2,3-dione, 5-bromo-6-methyl-
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
1.9
Consensus LogP
1.82
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
