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CAS 93-83-4 N,N-DIETHANOLOLEAMIDE molecular structure lightbox
CAS RN: 93-83-4

N,N-DIETHANOLOLEAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong, Shandong Inquiry
  • Product code: starshine_CAS93-83-4
  • Purity/Analytical Methods: >99.0%
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93-83-4 / N,N-bis(2-hydroxyethyl)octadec-9-enamide

Standard CAS: 93-83-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93-83-4
Multi CAS
Yes
Molecular Formula
C22H43NO3
Molecular Weight
369.600000
Exact Mass
369.324294
InChI
InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,24-25H,2-8,11-21H2,1H3
InChIKey
LPMBTLLQQJBUOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.86
Rotatable bonds
19
H-bond acceptors
3
H-bond donors
2
Molar refractivity
110.2
TPSA
60.77

LogP / Solubility

WLOGP
4.84
MLOGP
4.28
XLogP3
5.8
Consensus LogP
4.97
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.36
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
Yes
Log Kp (skin permeation)
-1.54

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

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