CAS RN: 49827-15-8
tert-Butyl 2-iodoacetate
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
- Product code: SSC-156123
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, 0.25g, 10g, 5g, 25g, 100g
- 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 |
| 0.25g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 2 In Stock | Beijing | Inquiry |
| 25g | >97% | 1 In Stock | Beijing | Inquiry |
| 100g | >97% | 1 In Stock | Hong Kong | Inquiry |
49827-15-8 / tert-butyl 2-iodoacetate
Basic Information
CAS
49827-15-8
Multi CAS
No
Molecular Formula
C6H11IO2
Molecular Weight
242.050000
Exact Mass
241.980380
InChI
InChI=1S/C6H11IO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
InChIKey
QYPDJIDQEZDFLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.73
TPSA
26.3
LogP / Solubility
WLOGP
1.76
MLOGP
1.56
XLogP3
1.8
Consensus LogP
1.71
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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