CAS RN: 145916-41-2
Propargyl-PEG2-Tos
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-057078
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
145916-41-2 / 2-prop-2-ynoxyethyl 4-methylbenzenesulfonate
Basic Information
CAS
145916-41-2
Multi CAS
No
Molecular Formula
C12H14O4S
Molecular Weight
254.300000
Exact Mass
254.061280
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCC#C
InChI
InChI=1S/C12H14O4S/c1-3-8-15-9-10-16-17(13,14)12-6-4-11(2)5-7-12/h1,4-7H,8-10H2,2H3
InChIKey
KTEIFCKZGZZTHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
63.97
TPSA
52.6
LogP / Solubility
WLOGP
1.35
MLOGP
1.19
XLogP3
1.4
Consensus LogP
1.31
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly 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)
-3.31
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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