CAS RN: 557-07-3
ZINC OLEATE
Product Availability
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4 package records2 with current stock1 grade group
- Product code: starshine_CAS557-07-3
- Purity/Analytical Methods: >99.0%
557-07-3 / zinc bis(octadec-9-enoate)
Basic Information
CAS
557-07-3
Multi CAS
Yes
Molecular Formula
C36H66O4Zn
Molecular Weight
628.300000
Exact Mass
626.425252
InChI
InChI=1S/2C18H34O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2
InChIKey
LPEBYPDZMWMCLZ-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
41
Fraction Csp3
0.83
Rotatable bonds
30
H-bond acceptors
4
Molar refractivity
168.92
TPSA
80.26
LogP / Solubility
WLOGP
9.55
MLOGP
8.45
XLogP3
9.55
Consensus LogP
9.18
Log S (ESOL)
-7.77
Class (ESOL)
Insoluble
Log S (Ali)
-11.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.27
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
Yes
Log Kp (skin permeation)
0.22
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
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