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CAS 111-58-0 N-Oleoylethanolamine molecular structure lightbox
CAS RN: 111-58-0

N-Oleoylethanolamine

  • Product code: SSC-011895
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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: ≥95%
  • 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 111-58-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

111-58-0 / (Z)-N-(2-hydroxyethyl)octadec-9-enamide

N-(2-hydroxyethyl)octadec-9-enamide | DTXSID00859196 | RefChem:1091054

Standard CAS: 111-58-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
111-58-0
Multi CAS
Yes
Molecular Formula
C20H39NO2
Molecular Weight
325.500000
Exact Mass
325.298079
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCO
InChI
InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
InChIKey
BOWVQLFMWHZBEF-KTKRTIGZSA-N
Synonyms
N-(2-hydroxyethyl)octadec-9-enamide DTXSID00859196 RefChem:1091054 DTXCID60809672 N-Oleoylethanolamide;Oleamide MEA;Oleic acid monoethanolamide

Physical Properties

Physical Description
Other Solid Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.85
Rotatable bonds
17
H-bond acceptors
2
H-bond donors
2
Molar refractivity
99.55
TPSA
49.33

LogP / Solubility

WLOGP
5.13
MLOGP
4.53
XLogP3
6.3
Consensus LogP
5.32
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (26.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (19.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (19%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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