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CAS 59935-31-8 H-[15N]LEU-OH molecular structure lightbox
CAS RN: 59935-31-8

H-[15N]LEU-OH

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260420 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS59935-31-8
  • Purity/Analytical Methods: >99.0%
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59935-31-8 / 2-amino-4-methylpentanoic acid

Standard CAS: 59935-31-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59935-31-8
Multi CAS
Yes
Molecular Formula
C6H13NO2
Molecular Weight
131.170000
Exact Mass
131.094629
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/i7+1
InChIKey
ROHFNLRQFUQHCH-GEERXGHESA-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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