CAS RN: 1895922-72-1
Boc-aminooxy-PEG1-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.20250911 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1895922-72-1
- Purity/Analytical Methods: >99.0%
1895922-72-1 / tert-butyl N-(2-prop-2-ynoxyethoxy)carbamate
Basic Information
CAS
1895922-72-1
Multi CAS
No
Molecular Formula
C10H17NO4
Molecular Weight
215.250000
Exact Mass
215.115758
SMILES
CC(C)(C)OC(=O)NOCCOCC#C
InChI
InChI=1S/C10H17NO4/c1-5-6-13-7-8-14-11-9(12)15-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)
InChIKey
OZSAQUGQZCPQSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.97
TPSA
56.79
LogP / Solubility
WLOGP
1.09
MLOGP
0.96
XLogP3
0.9
Consensus LogP
0.98
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-3.26
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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