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CAS 23328-60-1 2-[2-(2-hydroxyethoxy)ethoxy]ethyl laurate molecular structure lightbox
CAS RN: 23328-60-1

2-[2-(2-hydroxyethoxy)ethoxy]ethyl laurate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260218 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23328-60-1
  • Purity/Analytical Methods: >99.0%
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23328-60-1 / 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dodecanoate

Standard CAS: 23328-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23328-60-1
Multi CAS
No
Molecular Formula
C18H36O5
Molecular Weight
332.500000
Exact Mass
332.256274
SMILES
CCCCCCCCCCCC(=O)OCCOCCOCCO
InChI
InChI=1S/C18H36O5/c1-2-3-4-5-6-7-8-9-10-11-18(20)23-17-16-22-15-14-21-13-12-19/h19H,2-17H2,1H3
InChIKey
JPFNYQCURDHMDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.94
Rotatable bonds
18
H-bond acceptors
5
H-bond donors
1
Molar refractivity
91.53
TPSA
64.99

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
4.3
Consensus LogP
3.62
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

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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