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CAS 55373-89-2 METHYL PENTACOSANOATE molecular structure lightbox
CAS RN: 55373-89-2

METHYL PENTACOSANOATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260514 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS55373-89-2
  • Purity/Analytical Methods: >99.0%
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55373-89-2 / methyl pentacosanoate

Standard CAS: 55373-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55373-89-2
Multi CAS
No
Molecular Formula
C26H52O2
Molecular Weight
396.700000
Exact Mass
396.396731
InChI
InChI=1S/C26H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h3-25H2,1-2H3
InChIKey
WOPKHAQDUMDJIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.96
Rotatable bonds
23
H-bond acceptors
2
Molar refractivity
123.88
TPSA
26.3

LogP / Solubility

WLOGP
9.15
MLOGP
8.08
XLogP3
12.8
Consensus LogP
10.01
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-9.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.59
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)
1.36

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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