CAS RN: 1245823-50-0
Propargyl-PEG5-t-butyl ester
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-028562
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: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 2 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 2 In Stock | Beijing | Inquiry |
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 2 In Stock | Beijing | Inquiry |
| 1g | -- | 2 In Stock | Shanghai | Inquiry |
| 1g | >97% | 2 In Stock | Beijing | Inquiry |
| 5g | -- | 2 In Stock | Shanghai | Inquiry |
| 5g | >97% | 2 In Stock | Hong Kong | Inquiry |
1245823-50-0 / tert-butyl 3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
1245823-50-0
Multi CAS
No
Molecular Formula
C18H32O7
Molecular Weight
360.400000
Exact Mass
360.214803
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCC#C
InChI
InChI=1S/C18H32O7/c1-5-7-20-9-11-22-13-15-24-16-14-23-12-10-21-8-6-17(19)25-18(2,3)4/h1H,6-16H2,2-4H3
InChIKey
YPLMNICQRHSVNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.83
Rotatable bonds
16
H-bond acceptors
7
Molar refractivity
93.39
TPSA
72.45
LogP / Solubility
WLOGP
1.43
MLOGP
1.28
XLogP3
0.4
Consensus LogP
1.04
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly 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)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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