CAS RN: 122750-25-8
6-Chloro-1-methyl-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.20250906 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS122750-25-8
- Purity/Analytical Methods: >99.0%
122750-25-8 / 6-chloro-1-methylindole-2,3-dione
Basic Information
CAS
122750-25-8
Multi CAS
No
Molecular Formula
C9H6ClNO2
Molecular Weight
195.600000
Exact Mass
195.008706
SMILES
CN1C2=C(C=CC(=C2)Cl)C(=O)C1=O
InChI
InChI=1S/C9H6ClNO2/c1-11-7-4-5(10)2-3-6(7)8(12)9(11)13/h2-4H,1H3
InChIKey
WTAJYWAYWPRDDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
49.19
TPSA
37.38
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.2
Consensus LogP
1.34
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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