CAS RN: 92751-17-2

L-LEUCINE-D7

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Batchno.20250810 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS92751-17-2
  • Purity/Analytical Methods: >99.0%
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92751-17-2 / 2-amino-4,5,5,5-tetradeuterio-4-(trideuteriomethyl)pentanoic acid

Standard CAS: 92751-17-2 Multi CAS: Yes

Basic Information

CAS
92751-17-2
Multi CAS
Yes
Molecular Formula
C6H13NO2
Molecular Weight
138.220000
Exact Mass
138.138566
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/i1D3,2D3,4D
InChIKey
ROHFNLRQFUQHCH-RHMGQHGKSA-N

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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