CAS RN: 82919-37-7
Methyl 1,2,2,6,6-pentamethyl-4-piperidyl sebacate
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS82919-37-7
- Purity/Analytical Methods: >99.0%
82919-37-7 / 1-O-methyl 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
Basic Information
CAS
82919-37-7
Multi CAS
Yes
Molecular Formula
C21H39NO4
Molecular Weight
369.500000
Exact Mass
369.287909
InChI
InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3
InChIKey
OTCWVYFQGYOYJO-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid; NKRA
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.9
Rotatable bonds
10
H-bond acceptors
5
Molar refractivity
103.99
TPSA
55.84
LogP / Solubility
WLOGP
4.47
MLOGP
3.96
XLogP3
4.6
Consensus LogP
4.34
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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