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CAS 1259702-72-1 (2S)-2-AMino-2-cyclobutylethan-1-ol HCl molecular structure lightbox
CAS RN: 1259702-72-1

(2S)-2-AMino-2-cyclobutylethan-1-ol HCl

  • Product code: SSC-031352
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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: ≥95%
  • 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 1259702-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1259702-72-1 / (2S)-2-amino-2-cyclobutylethanol

Standard CAS: 1259702-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1259702-72-1
Multi CAS
No
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
SMILES
C1CC(C1)[C@@H](CO)N
InChI
InChI=1S/C6H13NO/c7-6(4-8)5-2-1-3-5/h5-6,8H,1-4,7H2/t6-/m1/s1
InChIKey
PUBFSGQLWVPDER-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.4
TPSA
46.25

LogP / Solubility

WLOGP
0.11
MLOGP
0.08
Consensus LogP
0.06
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
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)
-3.35

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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