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CAS 506-48-9 Octacosanoic Acid molecular structure lightbox
CAS RN: 506-48-9

Octacosanoic Acid

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6 package records6 with current stock2 grade groups
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Batchno.20250519 100mg In stock Inquiry
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  • Product code: ICTM1342
  • Purity/Analytical Methods: >98.0%(T)
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506-48-9 / octacosanoic acid

Standard CAS: 506-48-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
506-48-9
Multi CAS
No
Molecular Formula
C28H56O2
Molecular Weight
424.700000
Exact Mass
424.428031
InChI
InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)
InChIKey
UTOPWMOLSKOLTQ-UHFFFAOYSA-N

Physical Properties

Melting Point
90.9 °C
Physical Description
White flakes; Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.96
Rotatable bonds
26
H-bond acceptors
1
H-bond donors
1
Molar refractivity
133.35
TPSA
37.3

LogP / Solubility

WLOGP
10.23
MLOGP
9.03
XLogP3
12.9
Consensus LogP
10.72
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-10.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.03
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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