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CAS 203784-63-8 DL-VALINE-2,3,4,4,4,5,5,5-D8 molecular structure lightbox
CAS RN: 203784-63-8

DL-VALINE-2,3,4,4,4,5,5,5-D8

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS203784-63-8
  • Purity/Analytical Methods: >99.0%
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203784-63-8 / 2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoic acid

Standard CAS: 203784-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203784-63-8
Multi CAS
No
Molecular Formula
C5H11NO2
Molecular Weight
125.200000
Exact Mass
125.129193
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(C(=O)O)N
InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i1D3,2D3,3D,4D
InChIKey
KZSNJWFQEVHDMF-PIODKIDGSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.45
TPSA
63.32

LogP / Solubility

WLOGP
0.05
MLOGP
0.04
XLogP3
-2.3
Consensus LogP
-0.74
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very 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)
-3.4

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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