![CAS 481001-07-4 2H-SPIRO[BENZOFURAN-3,4′-PIPERIDIN]-2-ONE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1416619.gif)
CAS RN: 481001-07-4
2H-SPIRO[BENZOFURAN-3,4′-PIPERIDIN]-2-ONE HYDROCHLORIDE
- Product code: SSC-155062
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 | Shenzhen | Inquiry |
481001-07-4 / spiro[1-benzofuran-3,4'-piperidine]-2-one;hydrochloride
Basic Information
CAS
481001-07-4
Multi CAS
No
Molecular Formula
C12H14CLNO2
Molecular Weight
239.700000
Exact Mass
239.071306
InChI
InChI=1S/C12H13NO2.ClH/c14-11-12(5-7-13-8-6-12)9-3-1-2-4-10(9)15-11;/h1-4,13H,5-8H2;1H
InChIKey
UORCIRVUHMWNFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.11
TPSA
38.33
LogP / Solubility
WLOGP
1.65
MLOGP
1.46
XLogP3
1.65
Consensus LogP
1.59
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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