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CAS 92398-53-3 2-AMino-2-ethylbutanoic acid HCl molecular structure lightbox
CAS RN: 92398-53-3

2-AMino-2-ethylbutanoic acid HCl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS92398-53-3
  • Purity/Analytical Methods: >99.0%
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92398-53-3 / 2-amino-2-ethylbutanoic acid;hydrochloride

Standard CAS: 92398-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92398-53-3
Multi CAS
No
Molecular Formula
C6H14CLNO2
Molecular Weight
167.630000
Exact Mass
167.071306
InChI
InChI=1S/C6H13NO2.ClH/c1-3-6(7,4-2)5(8)9;/h3-4,7H2,1-2H3,(H,8,9);1H
InChIKey
VEEPAFAJGSCBOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.38
TPSA
63.32

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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