CAS RN: 40290-32-2
1,2-DIPALMITOYL-RAC-GLYCEROL
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS40290-32-2
- Purity/Analytical Methods: >99.0%
40290-32-2 / (2-hexadecanoyloxy-3-hydroxypropyl) hexadecanoate
Basic Information
CAS
40290-32-2
Multi CAS
No
Molecular Formula
C35H68O5
Molecular Weight
568.900000
Exact Mass
568.506675
InChI
InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3
InChIKey
JEJLGIQLPYYGEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.94
Rotatable bonds
32
H-bond acceptors
5
H-bond donors
1
Molar refractivity
168.55
TPSA
72.83
LogP / Solubility
WLOGP
10.4
MLOGP
9.19
XLogP3
14
Consensus LogP
11.2
Log S (ESOL)
-7.8
Class (ESOL)
Insoluble
Log S (Ali)
-11.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.83
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)
1.19
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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