![CAS 887978-87-2 [8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]dec-8-yl]MethylaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/887978-87-2.gif)
CAS RN: 887978-87-2
[8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]dec-8-yl]MethylaMine
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.20250124 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-200512
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
887978-87-2 / [8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine
Basic Information
CAS
887978-87-2
Multi CAS
No
Molecular Formula
C16H23NO2
Molecular Weight
261.360000
Exact Mass
261.172879
InChI
InChI=1S/C16H23NO2/c1-13-3-2-4-14(11-13)15(12-17)5-7-16(8-6-15)18-9-10-19-16/h2-4,11H,5-10,12,17H2,1H3
InChIKey
BKEURERNTRHFIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.01
TPSA
44.48
LogP / Solubility
WLOGP
2.51
MLOGP
2.21
XLogP3
2.1
Consensus LogP
2.27
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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