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CAS 106972-44-5 L-LEUCINE-2,3,3,4,5,5,5,6,6,6-D10 molecular structure lightbox
CAS RN: 106972-44-5

L-LEUCINE-2,3,3,4,5,5,5,6,6,6-D10

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS106972-44-5
  • Purity/Analytical Methods: >99.0%
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106972-44-5 / (2S)-2-amino-2,3,3,4,5,5,5-heptadeuterio-4-(trideuteriomethyl)pentanoic acid

Deuterated L-leucine | DTXSID60584053 | RefChem:1083214

Standard CAS: 106972-44-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106972-44-5
Multi CAS
Yes
Molecular Formula
C6H13NO2
Molecular Weight
141.230000
Exact Mass
141.157396
SMILES
[2H][C@@](C(=O)O)(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])N
InChI
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3,2D3,3D2,4D,5D
InChIKey
ROHFNLRQFUQHCH-ZWFPVXGPSA-N
Synonyms
Deuterated L-leucine DTXSID60584053 RefChem:1083214 DTXCID80534818 L-Leucine-d10

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.07
TPSA
63.32

LogP / Solubility

WLOGP
0.44
MLOGP
0.38
XLogP3
-1.5
Consensus LogP
-0.23
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-3.2

Drug-likeness / Medicinal Chemistry

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

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