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CAS 72408-58-3 2-Amino-2-methyl-butyric acid hydrochloride molecular structure lightbox
CAS RN: 72408-58-3

2-Amino-2-methyl-butyric acid hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-181919
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 72408-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

72408-58-3 / 2-amino-2-methylbutanoic acid;hydrochloride

Standard CAS: 72408-58-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72408-58-3
Multi CAS
Yes
Molecular Formula
C5H12CLNO2
Molecular Weight
153.610000
Exact Mass
153.055656
InChI
InChI=1S/C5H11NO2.ClH/c1-3-5(2,6)4(7)8;/h3,6H2,1-2H3,(H,7,8);1H
InChIKey
CYBOBNODYVJFNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.77
TPSA
63.32

LogP / Solubility

WLOGP
0.62
MLOGP
0.54
XLogP3
0.62
Consensus LogP
0.59
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.22

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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