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CAS 56219-10-4 Ethyl cis-9-Hexadecenoate molecular structure lightbox
CAS RN: 56219-10-4

Ethyl cis-9-Hexadecenoate

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260305 10mg / 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260414 100mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: ICTH0501
  • Purity/Analytical Methods: >95.0%(GC)
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56219-10-4 / ethyl hexadec-9-enoate

Standard CAS: 56219-10-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56219-10-4
Multi CAS
Yes
Molecular Formula
C18H34O2
Molecular Weight
282.500000
Exact Mass
282.255880
InChI
InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h9-10H,3-8,11-17H2,1-2H3
InChIKey
JELGPLUONQGOHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
86.85
TPSA
26.3

LogP / Solubility

WLOGP
5.81
MLOGP
5.12
XLogP3
6.9
Consensus LogP
5.94
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8
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
No
Log Kp (skin permeation)
-0.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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