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CAS 1346602-62-7 rac-3-AMinoisobutyric Acid-d3 Hydrochloride molecular structure lightbox
CAS RN: 1346602-62-7

rac-3-AMinoisobutyric Acid-d3 Hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251028 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1346602-62-7
  • Purity/Analytical Methods: >99.0%
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1346602-62-7 / 2-(aminomethyl)-3,3,3-trideuteriopropanoic acid;hydrochloride

Standard CAS: 1346602-62-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1346602-62-7
Multi CAS
No
Molecular Formula
C4H10ClNO2
Molecular Weight
142.600000
Exact Mass
142.058837
SMILES
[2H]C([2H])([2H])C(CN)C(=O)O.Cl
InChI
InChI=1S/C4H9NO2.ClH/c1-3(2-5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/i1D3;
InChIKey
CGGBOMJVYQTWRN-NIIDSAIPSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.1
TPSA
63.32

LogP / Solubility

WLOGP
0.09
MLOGP
0.07
XLogP3
0.09
Consensus LogP
0.08
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
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)
-3.51

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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