![CAS 168893-04-7 N,N-Dibenzyl-1,4-dioxaspiro[4.5]decan-8-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/168893-04-7.gif)
CAS RN: 168893-04-7
N,N-Dibenzyl-1,4-dioxaspiro[4.5]decan-8-amine
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.20260207 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-073584
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
168893-04-7 / N,N-dibenzyl-1,4-dioxaspiro[4.5]decan-8-amine
Basic Information
CAS
168893-04-7
Multi CAS
No
Molecular Formula
C22H27NO2
Molecular Weight
337.500000
Exact Mass
337.204179
SMILES
C1CC2(CCC1N(CC3=CC=CC=C3)CC4=CC=CC=C4)OCCO2
InChI
InChI=1S/C22H27NO2/c1-3-7-19(8-4-1)17-23(18-20-9-5-2-6-10-20)21-11-13-22(14-12-21)24-15-16-25-22/h1-10,21H,11-18H2
InChIKey
NSGRBUYEPGOGRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
99.02
TPSA
21.7
LogP / Solubility
WLOGP
4.37
MLOGP
3.87
XLogP3
4
Consensus LogP
4.08
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 168893-49-0 5-(2,4-DICHLORO-PHENYL)-4H-[1,2,4]TRIAZOL-3-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5443569.gif)
