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CAS 60037-58-3 Z-13-OCTADECEN-1-YL ACETATE molecular structure lightbox
CAS RN: 60037-58-3

Z-13-OCTADECEN-1-YL ACETATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 100mg / 250mg / 1g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: starshine_CAS60037-58-3
  • Purity/Analytical Methods: >99.0%
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60037-58-3 / octadec-13-enyl acetate

Standard CAS: 60037-58-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60037-58-3
Multi CAS
Yes
Molecular Formula
C20H38O2
Molecular Weight
310.500000
Exact Mass
310.287180
InChI
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7H,3-5,8-19H2,1-2H3/b7-6-
InChIKey
PPNRRQMJESAXGJ-SREVYHEPSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.85
Rotatable bonds
16
H-bond acceptors
2
Molar refractivity
96.09
TPSA
26.3

LogP / Solubility

WLOGP
6.59
MLOGP
5.81
XLogP3
8
Consensus LogP
6.8
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.07
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
No
Log Kp (skin permeation)
0.06

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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