CAS RN: 350818-62-1

L-CARNITINE-D3 HCL (METHYL-D3)

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Batchno.20260311 100mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS350818-62-1
  • Purity/Analytical Methods: >99.0%
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350818-62-1 / [(2R)-3-carboxy-2-hydroxypropyl]-dimethyl-(trideuteriomethyl)azanium chloride

Standard CAS: 350818-62-1 Multi CAS: Yes

Basic Information

CAS
350818-62-1
Multi CAS
Yes
Molecular Formula
C7H16CLNO3
Molecular Weight
200.680000
Exact Mass
200.100701
InChI
InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1/i1D3;
InChIKey
JXXCENBLGFBQJM-QKBJTWEASA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.16
TPSA
57.53

LogP / Solubility

WLOGP
-3.47
MLOGP
-3.05
XLogP3
-3.47
Consensus LogP
-3.33
Log S (ESOL)
1.38
Class (ESOL)
Highly soluble
Log S (Ali)
1.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.45
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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