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CAS 52497-24-2 2-[(2-hydroxyethyl)octadecylamino]ethyl stearate molecular structure lightbox
CAS RN: 52497-24-2

2-[(2-hydroxyethyl)octadecylamino]ethyl stearate

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS52497-24-2
  • Purity/Analytical Methods: >99.0%
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52497-24-2 / 2-[2-hydroxyethyl(octadecyl)amino]ethyl octadecanoate

Standard CAS: 52497-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52497-24-2
Multi CAS
No
Molecular Formula
C40H81NO3
Molecular Weight
624.100000
Exact Mass
623.621645
InChI
InChI=1S/C40H81NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(36-38-42)37-39-44-40(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-39H2,1-2H3
InChIKey
KHYNLKWLPONHOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Fraction Csp3
0.97
Rotatable bonds
38
H-bond acceptors
4
H-bond donors
1
Molar refractivity
193.58
TPSA
49.77

LogP / Solubility

WLOGP
12.35
MLOGP
10.92
XLogP3
16.7
Consensus LogP
13.32
Log S (ESOL)
-8.98
Class (ESOL)
Insoluble
Log S (Ali)
-13.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
2.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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