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CAS 1678-45-1 2-hydroxy-1-(hydroxymethyl)ethyl laurate molecular structure lightbox
CAS RN: 1678-45-1

2-hydroxy-1-(hydroxymethyl)ethyl laurate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1678-45-1
  • Purity/Analytical Methods: >99.0%
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1678-45-1 / 1,3-dihydroxypropan-2-yl dodecanoate

Standard CAS: 1678-45-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1678-45-1
Multi CAS
No
Molecular Formula
C15H30O4
Molecular Weight
274.400000
Exact Mass
274.214409
SMILES
CCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-14(12-16)13-17/h14,16-17H,2-13H2,1H3
InChIKey
ZUCMOZYYSZYRRM-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.9
TPSA
66.76

LogP / Solubility

WLOGP
2.8
MLOGP
2.48
XLogP3
4
Consensus LogP
3.09
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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