CAS RN: 32509-55-0
DECYL STEARATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS32509-55-0
- Purity/Analytical Methods: >99.0%
32509-55-0 / decyl octadecanoate
Basic Information
CAS
32509-55-0
Multi CAS
No
Molecular Formula
C28H56O2
Molecular Weight
424.700000
Exact Mass
424.428031
InChI
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey
KBODESQIOVVMAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.96
Rotatable bonds
25
H-bond acceptors
2
Molar refractivity
133.12
TPSA
26.3
LogP / Solubility
WLOGP
9.93
MLOGP
8.77
XLogP3
13
Consensus LogP
10.57
Log S (ESOL)
-7.08
Class (ESOL)
Insoluble
Log S (Ali)
-10.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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