CAS RN: 20955-75-3
6,6-dimethyl-6,7-dihydro-1H-indol-4(5H)-one
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.20250823 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS20955-75-3
- Purity/Analytical Methods: >99.0%
20955-75-3 / 6,6-dimethyl-5,7-dihydro-1H-indol-4-one
Basic Information
CAS
20955-75-3
Multi CAS
No
Molecular Formula
C10H13NO
Molecular Weight
163.220000
Exact Mass
163.099714
SMILES
CC1(CC2=C(C=CN2)C(=O)C1)C
InChI
InChI=1S/C10H13NO/c1-10(2)5-8-7(3-4-11-8)9(12)6-10/h3-4,11H,5-6H2,1-2H3
InChIKey
CMCYCCSCAZJCII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.23
TPSA
32.86
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
1.7
Consensus LogP
1.93
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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