![CAS 71916-73-9 3H-SPIRO[1-BENZOFURAN-2,4”-PIPERIDINE] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71916-73-9.gif)
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
71916-73-9 / spiro[3H-1-benzofuran-2,4'-piperidine]
Basic Information
CAS
71916-73-9
Multi CAS
No
Molecular Formula
C12H15NO
Molecular Weight
189.250000
Exact Mass
189.115364
InChI
InChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-12(14-11)5-7-13-8-6-12/h1-4,13H,5-9H2
InChIKey
ZELCJNKQCKIECO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.61
TPSA
21.26
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
1.9
Consensus LogP
1.72
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.64
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 71916-97-7 spiro[benzofuran-2(3H),1′-Methyl-4′-piperidine] hydrobroMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71916-97-7.gif)
