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CAS 6198-58-9 Methyl trans-11-Octadecenoate molecular structure lightbox
CAS RN: 6198-58-9

Methyl trans-11-Octadecenoate

  • Product code: SSC-170980
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 6198-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

6198-58-9 / methyl octadec-11-enoate

Standard CAS: 6198-58-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6198-58-9
Multi CAS
Yes
Molecular Formula
C19H36O2
Molecular Weight
296.500000
Exact Mass
296.271530
InChI
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,10-18H2,1-2H3
InChIKey
PVVODBCDJBGMJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.84
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
91.47
TPSA
26.3

LogP / Solubility

WLOGP
6.2
MLOGP
5.46
XLogP3
7.6
Consensus LogP
6.42
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.53
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)
-0.13

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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