CAS RN: 1092654-47-1
Azido-PEG3-CH2CO2-NHS
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250606 | 100mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1092654-47-1
- Purity/Analytical Methods: >99.0%
1092654-47-1 / (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate
Azido-PEG3-CH2CO2-NHS | MFCD29067172 | N3-PEG3-CH2COONHS
Basic Information
CAS
1092654-47-1
Multi CAS
No
Molecular Formula
C12H18N4O7
Molecular Weight
330.290000
Exact Mass
330.117549
SMILES
C1CC(=O)N(C1=O)OC(=O)COCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C12H18N4O7/c13-15-14-3-4-20-5-6-21-7-8-22-9-12(19)23-16-10(17)1-2-11(16)18/h1-9H2
InChIKey
XNHIEMNCUYXCFI-UHFFFAOYSA-N
Synonyms
Azido-PEG3-CH2CO2-NHS
MFCD29067172
N3-PEG3-CH2COONHS
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate
2,5-dioxopyrrolidin-1-yl 2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)acetate
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.75
Rotatable bonds
12
H-bond acceptors
8
Molar refractivity
73.65
TPSA
140.13
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.03
XLogP3
-0.3
Consensus LogP
-0.13
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-4.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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