CAS RN: 1354521-95-1
mPEG9-N3
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.20251106 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1354521-95-1
- Purity/Analytical Methods: >99.0%
1354521-95-1 / 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
Basic Information
CAS
1354521-95-1
Multi CAS
No
Molecular Formula
C19H39N3O9
Molecular Weight
453.500000
Exact Mass
453.268630
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C19H39N3O9/c1-23-4-5-25-8-9-27-12-13-29-16-17-31-19-18-30-15-14-28-11-10-26-7-6-24-3-2-21-22-20/h2-19H2,1H3
InChIKey
YOCDAGUIMZYXKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
27
H-bond acceptors
10
Molar refractivity
112.44
TPSA
131.83
LogP / Solubility
WLOGP
1.08
MLOGP
0.98
XLogP3
-0.2
Consensus LogP
0.62
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.74
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
No
Log Kp (skin permeation)
-4.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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