CAS RN: 2100306-62-3
N-(Propargyl-PEG2)-N-bis(PEG1-alcohol)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251222 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2100306-62-3
- Purity/Analytical Methods: >99.0%
2100306-62-3 / 2-[2-[2-(2-hydroxyethoxy)ethyl-[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethanol
Basic Information
CAS
2100306-62-3
Multi CAS
No
Molecular Formula
C15H29NO6
Molecular Weight
319.390000
Exact Mass
319.199488
SMILES
C#CCOCCOCCN(CCOCCO)CCOCCO
InChI
InChI=1S/C15H29NO6/c1-2-8-19-14-15-22-11-5-16(3-9-20-12-6-17)4-10-21-13-7-18/h1,17-18H,3-15H2
InChIKey
SYALILPHJRBSKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.87
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
2
Molar refractivity
82.72
TPSA
80.62
LogP / Solubility
WLOGP
-1.03
MLOGP
-0.89
XLogP3
-1.6
Consensus LogP
-1.17
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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