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CAS 173686-73-2 Myristoyl-L-carnitine Hydrochloride molecular structure lightbox
CAS RN: 173686-73-2

Myristoyl-L-carnitine Hydrochloride

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 10mg / 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS173686-73-2
  • Purity/Analytical Methods: >99.0%
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173686-73-2 / [(2R)-3-carboxy-2-tetradecanoyloxypropyl]-trimethylazanium chloride

Standard CAS: 173686-73-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173686-73-2
Multi CAS
No
Molecular Formula
C21H42ClNO4
Molecular Weight
408.000000
Exact Mass
407.280237
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C21H41NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4;/h19H,5-18H2,1-4H3;1H/t19-;/m1./s1
InChIKey
TWGWHMYOGIGWDM-FSRHSHDFSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.9
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
106.11
TPSA
63.6

LogP / Solubility

WLOGP
1.78
MLOGP
1.6
XLogP3
1.78
Consensus LogP
1.72
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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)
-3.94

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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