![CAS 1360946-84-4 5-Methyl-1H-spiro[cyclopropane-1,3-indole]-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1360946-84-4.gif)
CAS RN: 1360946-84-4
5-Methyl-1H-spiro[cyclopropane-1,3-indole]-2-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.20260528 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1360946-84-4
- Purity/Analytical Methods: >99.0%
1360946-84-4 / 5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
Basic Information
CAS
1360946-84-4
Multi CAS
No
Molecular Formula
C11H11NO
Molecular Weight
173.210000
Exact Mass
173.084064
SMILES
CC1=CC2=C(C=C1)NC(=O)C23CC3
InChI
InChI=1S/C11H11NO/c1-7-2-3-9-8(6-7)11(4-5-11)10(13)12-9/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKey
XNYIJZZCFVTAIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.72
TPSA
29.1
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
1.5
Consensus LogP
1.74
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1360946-96-8 5′-Methoxy-1’H-spiro[cyclopropane-1,3′-indole]-2′-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1360946-96-8.gif)
