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CAS 55486-00-5 DECYLUBIQUINONE molecular structure lightbox
CAS RN: 55486-00-5

DECYLUBIQUINONE

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 200μl In stock Shanghai, Shandong, Guangdong Inquiry
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Batchno.20250419 10mg In stock Inquiry
Batchno.20250225 50mg Out of stock Inquiry
Batchno.20250602 5mg Out of stock Inquiry
  • Product code: starshine_CAS55486-00-5
  • Purity/Analytical Methods: >99.0%
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55486-00-5 / 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Standard CAS: 55486-00-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55486-00-5
Multi CAS
Yes
Molecular Formula
C19H30O4
Molecular Weight
322.400000
Exact Mass
322.214409
InChI
InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3
InChIKey
VMEGFMNVSYVVOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.68
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
90.99
TPSA
52.6

LogP / Solubility

WLOGP
4.49
MLOGP
3.97
XLogP3
6
Consensus LogP
4.82
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.8
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)
-1.5

Drug-likeness / Medicinal Chemistry

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

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