CAS RN: 2055042-57-2
N-(Azido-PEG3)-N-bis(PEG3-acid) HCl salt
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.20251204 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2055042-57-2
- Purity/Analytical Methods: >99.0%
2055042-57-2 / 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2055042-57-2
Multi CAS
No
Molecular Formula
C26H50N4O13
Molecular Weight
626.700000
Exact Mass
626.337438
SMILES
C(COCCOCCOCCN(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C26H50N4O13/c27-29-28-3-9-37-15-21-43-24-18-40-12-6-30(4-10-38-16-22-41-19-13-35-7-1-25(31)32)5-11-39-17-23-42-20-14-36-8-2-26(33)34/h1-24H2,(H,31,32)(H,33,34)
InChIKey
ZFRXULKENCQWKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Fraction Csp3
0.92
Rotatable bonds
36
H-bond acceptors
13
H-bond donors
2
Molar refractivity
152.33
TPSA
209.67
LogP / Solubility
WLOGP
0.7
MLOGP
0.67
XLogP3
-3.4
Consensus LogP
-0.68
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.63
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.05
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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