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: 0.25g, 1g, 0.1g, 5g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 12
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | -- | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 1g | -- | 3 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | -- | 1 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 10g | -- | 1 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
253177-03-6 / tert-butyl 3-(iodomethyl)piperidine-1-carboxylate
Basic Information
CAS
253177-03-6
Multi CAS
No
Molecular Formula
C11H20INO2
Molecular Weight
325.190000
Exact Mass
325.053880
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CI
InChI
InChI=1S/C11H20INO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3
InChIKey
GWYLEGFCHNTQTF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.42
TPSA
29.54
LogP / Solubility
WLOGP
3.07
MLOGP
2.72
XLogP3
3
Consensus LogP
2.93
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
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
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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