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CAS 67113-60-4 H-D-ALA-LEU-OH molecular structure lightbox
CAS RN: 67113-60-4

H-D-ALA-LEU-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250628 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS67113-60-4
  • Purity/Analytical Methods: >99.0%
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67113-60-4 / 2-(2-aminopropanoylamino)-4-methylpentanoic acid

Standard CAS: 67113-60-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67113-60-4
Multi CAS
Yes
Molecular Formula
C9H18N2O3
Molecular Weight
202.250000
Exact Mass
202.131742
InChI
InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
InChIKey
RDIKFPRVLJLMER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
52.67
TPSA
92.42

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.04
XLogP3
-2.8
Consensus LogP
-0.96
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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