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CAS 17673-50-6 OLEYL STEARATE molecular structure lightbox
CAS RN: 17673-50-6

OLEYL STEARATE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260506 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17673-50-6
  • Purity/Analytical Methods: >99.0%
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17673-50-6 / [(Z)-octadec-9-enyl] octadecanoate

Standard CAS: 17673-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17673-50-6
Multi CAS
No
Molecular Formula
C36H70O2
Molecular Weight
534.900000
Exact Mass
534.537581
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C36H70O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-35H2,1-2H3/b19-17-
InChIKey
YYDZACXIVKPEAI-ZPHPHTNESA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.92
Rotatable bonds
32
H-bond acceptors
2
Molar refractivity
169.96
TPSA
26.3

LogP / Solubility

WLOGP
12.83
MLOGP
11.33
XLogP3
16.4
Consensus LogP
13.52
Log S (ESOL)
-9.13
Class (ESOL)
Insoluble
Log S (Ali)
-13.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.62
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)
3.13

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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