CAS RN: 843666-40-0
18-(tert-Butoxy)-18-oxooctadecanoic Acid
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: SSC-191892
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: 10g, 100g, 5g, 25g, 1g, 500g
- Available purity: >98%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 10g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 4 In Stock | Beijing | Inquiry |
| 25g | >98% | 4 In Stock | Shanghai | Inquiry |
| 1g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 500g | >98% | 0 Out of Stock | Shanghai | Inquiry |
843666-40-0 / 18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid
Basic Information
CAS
843666-40-0
Multi CAS
Yes
Molecular Formula
C22H42O4
Molecular Weight
370.600000
Exact Mass
370.308310
InChI
InChI=1S/C22H42O4/c1-22(2,3)26-21(25)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(23)24/h4-19H2,1-3H3,(H,23,24)
InChIKey
WDUQJXKBWRNMKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.91
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
107.35
TPSA
63.6
LogP / Solubility
WLOGP
6.65
MLOGP
5.88
XLogP3
7.7
Consensus LogP
6.74
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
