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CAS 36381-62-1 2-(2-hydroxyethoxy)ethyl palmitate molecular structure lightbox
CAS RN: 36381-62-1

2-(2-hydroxyethoxy)ethyl palmitate

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS36381-62-1
  • Purity/Analytical Methods: >99.0%
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36381-62-1 / 2-(2-hydroxyethoxy)ethyl hexadecanoate

Standard CAS: 36381-62-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36381-62-1
Multi CAS
Yes
Molecular Formula
C20H40O4
Molecular Weight
344.500000
Exact Mass
344.292660
InChI
InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(22)24-19-18-23-17-16-21/h21H,2-19H2,1H3
InChIKey
RGODSEMCBFJLCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.95
Rotatable bonds
19
H-bond acceptors
4
H-bond donors
1
Molar refractivity
99.18
TPSA
55.76

LogP / Solubility

WLOGP
5.02
MLOGP
4.43
XLogP3
6.6
Consensus LogP
5.35
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.35
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26

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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