CAS RN: 73342-16-2
N3-PEGn-OH 2K, 5K, 10K, 20K
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS73342-16-2
- Purity/Analytical Methods: >99.0%
73342-16-2 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Basic Information
CAS
73342-16-2
Multi CAS
Yes
Molecular Formula
C24H49N3O12
Molecular Weight
571.700000
Exact Mass
571.331624
InChI
InChI=1S/C24H49N3O12/c25-27-26-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h28H,1-24H2
InChIKey
AFUKFRGNHZRMCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Fraction Csp3
1
Rotatable bonds
35
H-bond acceptors
13
H-bond donors
1
Molar refractivity
140.11
TPSA
170.52
LogP / Solubility
WLOGP
0.47
MLOGP
0.46
XLogP3
-1.2
Consensus LogP
-0.09
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.97
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)
-5.87
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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