![CAS 850875-62-6 2′,3′-dihydro-1’H-spiro[cyclobutane-1,4′-isoquinoline] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/850875-62-6.gif)
CAS RN: 850875-62-6
2′,3′-dihydro-1’H-spiro[cyclobutane-1,4′-isoquinoline]
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.20251217 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-193122
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
850875-62-6 / spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
Basic Information
CAS
850875-62-6
Multi CAS
No
Molecular Formula
C12H15N
Molecular Weight
173.250000
Exact Mass
173.120449
InChI
InChI=1S/C12H15N/c1-2-5-11-10(4-1)8-13-9-12(11)6-3-7-12/h1-2,4-5,13H,3,6-9H2
InChIKey
SGMNNJVCACUQMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.68
TPSA
12.03
LogP / Solubility
WLOGP
2.21
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.12
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.21
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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