CAS RN: 2112732-03-1
N-(Azido-PEG3)-N-Boc-PEG3-t-butyl ester
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.20260502 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2112732-03-1
- Purity/Analytical Methods: >99.0%
2112732-03-1 / tert-butyl 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2112732-03-1
Multi CAS
No
Molecular Formula
C26H50N4O10
Molecular Weight
578.700000
Exact Mass
578.352694
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])C(=O)OC(C)(C)C
InChI
InChI=1S/C26H50N4O10/c1-25(2,3)39-23(31)7-11-33-15-19-37-21-17-35-13-9-30(24(32)40-26(4,5)6)10-14-36-18-22-38-20-16-34-12-8-28-29-27/h7-22H2,1-6H3
InChIKey
IZIWQDDVTKZAPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.92
Rotatable bonds
24
H-bond acceptors
11
Molar refractivity
147.2
TPSA
159.98
LogP / Solubility
WLOGP
3.37
MLOGP
3.01
XLogP3
1.9
Consensus LogP
2.76
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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N-(Azido-PEG4)-N-Boc-PEG4-t-butyl ester
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- Purity/Analytical method: >99.0%
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N-(t-Boc-Aminooxy-PEG2)-N-bis(PEG3-propargyl)
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