CAS RN: 1895922-74-3
Boc-aminooxy-PEG2-Propargyl
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.20250710 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1895922-74-3
- Purity/Analytical Methods: >99.0%
1895922-74-3 / tert-butyl N-[2-(2-prop-2-ynoxyethoxy)ethoxy]carbamate
Basic Information
CAS
1895922-74-3
Multi CAS
No
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
SMILES
CC(C)(C)OC(=O)NOCCOCCOCC#C
InChI
InChI=1S/C12H21NO5/c1-5-6-15-7-8-16-9-10-17-13-11(14)18-12(2,3)4/h1H,6-10H2,2-4H3,(H,13,14)
InChIKey
XXPUFYWATPLMHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.75
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.79
TPSA
66.02
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
0.8
Consensus LogP
0.96
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51
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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