CAS RN: 2183440-70-0
N-(Azido-PEG3)-N-(PEG2-amine)-PEG3-acid
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.20260317 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2183440-70-0
- Purity/Analytical Methods: >99.0%
2183440-70-0 / 3-[2-[2-[2-[3-[2-(2-aminoethoxy)ethoxy]propanoyl-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2183440-70-0
Multi CAS
No
Molecular Formula
C24H47N5O11
Molecular Weight
581.700000
Exact Mass
581.327207
SMILES
C(COCCOCCN)C(=O)N(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C24H47N5O11/c25-3-9-35-15-13-33-7-1-23(30)29(5-11-37-17-21-39-19-14-34-8-2-24(31)32)6-12-38-18-22-40-20-16-36-10-4-27-28-26/h1-22,25H2,(H,31,32)
InChIKey
FZLMDRGRFLPQRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.92
Rotatable bonds
32
H-bond acceptors
12
H-bond donors
2
Molar refractivity
143.07
TPSA
206.23
LogP / Solubility
WLOGP
0.08
MLOGP
0.12
XLogP3
-4.3
Consensus LogP
-1.37
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.35
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)
-6.21
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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