CAS RN: 2093152-79-3
N-(Azido-PEG4)-N-bis(PEG4-t-butyl ester)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250505 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2093152-79-3
- Purity/Analytical Methods: >99.0%
2093152-79-3 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2093152-79-3
Multi CAS
No
Molecular Formula
C40H78N4O16
Molecular Weight
871.100000
Exact Mass
870.541282
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C40H78N4O16/c1-39(2,3)59-37(45)7-13-47-19-25-53-31-34-56-28-22-50-16-10-44(12-18-52-24-30-58-36-33-55-27-21-49-15-9-42-43-41)11-17-51-23-29-57-35-32-54-26-20-48-14-8-38(46)60-40(4,5)6/h7-36H2,1-6H3
InChIKey
SGDLRHGVQBJFAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
60
Fraction Csp3
0.95
Rotatable bonds
45
H-bond acceptors
18
Molar refractivity
221.2
TPSA
215.36
LogP / Solubility
WLOGP
3.26
MLOGP
2.95
XLogP3
1
Consensus LogP
2.4
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.43
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)
-5.72
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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