![CAS 2177264-11-6 Tert-Butyl 1-Benzyl-3-Iodo-1,8-Diazaspiro[4.5]Decane-8-Carboxylate(WX102162) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2177264-11-6.png)
CAS RN: 2177264-11-6
Tert-Butyl 1-Benzyl-3-Iodo-1,8-Diazaspiro[4.5]Decane-8-Carboxylate(WX102162)
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.20250319 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-105094
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 | Hong Kong | Inquiry |
2177264-11-6 / tert-butyl 1-benzyl-3-iodo-1,8-diazaspiro[4.5]decane-8-carboxylate
Basic Information
CAS
2177264-11-6
Multi CAS
No
Molecular Formula
C20H29IN2O2
Molecular Weight
456.400000
Exact Mass
456.127380
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(CN2CC3=CC=CC=C3)I
InChI
InChI=1S/C20H29IN2O2/c1-19(2,3)25-18(24)22-11-9-20(10-12-22)13-17(21)15-23(20)14-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3
InChIKey
OFGOHCZHVVIBJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
109.05
TPSA
32.78
LogP / Solubility
WLOGP
4.47
MLOGP
3.96
XLogP3
4.2
Consensus LogP
4.21
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 2177266-26-9 Meso-(5S,8S)-8-Amino-1-Azaspiro[4.5]Decan-2-One Hydrochloride(WX100113S1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2177266-26-9.gif)