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CAS 36816-10-1 Linoleyl carnitine molecular structure lightbox
CAS RN: 36816-10-1

Linoleyl carnitine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS36816-10-1
  • Purity/Analytical Methods: >99.0%
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36816-10-1 / (3R)-3-octadeca-9,12-dienoyloxy-4-(trimethylazaniumyl)butanoate

Standard CAS: 36816-10-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36816-10-1
Multi CAS
Yes
Molecular Formula
C25H45NO4
Molecular Weight
423.600000
Exact Mass
423.334859
InChI
InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9-,13-12-/t23-/m1/s1
InChIKey
MJLXQSQYKZWZCB-DQFWFXSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.76
Rotatable bonds
19
H-bond acceptors
4
Molar refractivity
121.76
TPSA
66.43

LogP / Solubility

WLOGP
4.56
MLOGP
4.04
XLogP3
7.2
Consensus LogP
5.27
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.48
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
Yes
Log Kp (skin permeation)
-2.07

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
3

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