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CAS 3992-45-8 DECANOYL-L-CARNITINE molecular structure lightbox
CAS RN: 3992-45-8

DECANOYL-L-CARNITINE

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250803 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS3992-45-8
  • Purity/Analytical Methods: >99.0%
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3992-45-8 / 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate

Standard CAS: 3992-45-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3992-45-8
Multi CAS
Yes
Molecular Formula
C17H33NO4
Molecular Weight
315.400000
Exact Mass
315.240959
InChI
InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-14(19)16(17(21)22)15(20)13-18(2,3)4/h15-16,20H,5-13H2,1-4H3
InChIKey
QDFUGZFFTZZWFP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.88
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.02
TPSA
77.43

LogP / Solubility

WLOGP
1.13
MLOGP
1.01
XLogP3
3.8
Consensus LogP
1.98
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.21
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)
-3.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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