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CAS 10248-74-5 2-[bis(2-hydroxyethyl)amino]ethyl stearate molecular structure lightbox
CAS RN: 10248-74-5

2-[bis(2-hydroxyethyl)amino]ethyl stearate

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260419 100mg In stock Shanghai Inquiry
Batchno.20250204 1g In stock Shanghai Inquiry
Batchno.20250214 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS10248-74-5
  • Purity/Analytical Methods: >99.0%
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10248-74-5 / 2-[bis(2-hydroxyethyl)amino]ethyl octadecanoate

2-[bis(2-hydroxyethyl)amino]ethyl octadecanoate | Octadecanoic acid, 2-[bis(2-hydroxyethyl)amino]ethyl ester | 2-(Bis(2-hydroxyethyl)amino)ethyl stearate

Standard CAS: 10248-74-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10248-74-5
Multi CAS
No
Molecular Formula
C24H49NO4
Molecular Weight
415.600000
Exact Mass
415.366159
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CCO
InChI
InChI=1S/C24H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27/h26-27H,2-23H2,1H3
InChIKey
FVIMRJIDRHUTQP-UHFFFAOYSA-N
Synonyms
2-[bis(2-hydroxyethyl)amino]ethyl octadecanoate Octadecanoic acid, 2-[bis(2-hydroxyethyl)amino]ethyl ester 2-(Bis(2-hydroxyethyl)amino)ethyl stearate 2-[Bis(2-hydroxyethyl)amino]ethyl stearate EINECS 233-585-8

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.96
Rotatable bonds
23
H-bond acceptors
5
H-bond donors
2
Molar refractivity
121.12
TPSA
70

LogP / Solubility

WLOGP
5.08
MLOGP
4.49
XLogP3
7.2
Consensus LogP
5.59
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.34
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)
-1.65

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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