![CAS 1823868-84-3 4-METHOXYSPIRO[CYCLOPROPANE-1,3-INDOLINE] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823868-84-3.gif)
CAS RN: 1823868-84-3
4-METHOXYSPIRO[CYCLOPROPANE-1,3-INDOLINE]
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.20251214 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1823868-84-3
- Purity/Analytical Methods: >99.0%
1823868-84-3 / 4-methoxyspiro[1,2-dihydroindole-3,1'-cyclopropane]
Basic Information
CAS
1823868-84-3
Multi CAS
No
Molecular Formula
C11H13NO
Molecular Weight
175.230000
Exact Mass
175.099714
SMILES
COC1=CC=CC2=C1C3(CC3)CN2
InChI
InChI=1S/C11H13NO/c1-13-9-4-2-3-8-10(9)11(5-6-11)7-12-8/h2-4,12H,5-7H2,1H3
InChIKey
MYUFPLMFHJOOLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.4
TPSA
21.26
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
2.2
Consensus LogP
2.08
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.26
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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