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, 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 500g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 1000g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
301673-14-3 / tert-butyl 4-iodopiperidine-1-carboxylate
Basic Information
CAS
301673-14-3
Multi CAS
Yes
Molecular Formula
C10H18InO2
Molecular Weight
311.160000
Exact Mass
311.038230
InChI
InChI=1S/C10H18INO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3
InChIKey
YFWQFKUQVJNPKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.85
TPSA
29.54
LogP / Solubility
WLOGP
2.82
MLOGP
2.5
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
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)
-2.62
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
1.5
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tert-Butyl 4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylate
- CAS RN: 877399-50-3
- Product Code: SSC-198014
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