CAS RN: 297162-49-3
Azido-PEG6-CH2CO2t-butyl ester
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS297162-49-3
- Purity/Analytical Methods: >99.0%
297162-49-3 / tert-butyl 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
Basic Information
CAS
297162-49-3
Multi CAS
No
Molecular Formula
C18H35N3O8
Molecular Weight
421.500000
Exact Mass
421.242415
InChI
InChI=1S/C18H35N3O8/c1-18(2,3)29-17(22)16-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-20-21-19/h4-16H2,1-3H3
InChIKey
FWZLCXSEDMBOJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.94
Rotatable bonds
20
H-bond acceptors
9
Molar refractivity
104.77
TPSA
130.44
LogP / Solubility
WLOGP
1.74
MLOGP
1.56
XLogP3
1.2
Consensus LogP
1.5
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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