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CAS 1259906-46-1 (2S)-2-AMINO-2-CYCLOPENTYLETHAN-1-OL molecular structure lightbox
CAS RN: 1259906-46-1

(2S)-2-AMINO-2-CYCLOPENTYLETHAN-1-OL

  • Product code: SSC-031382
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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 1259906-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1259906-46-1 / (2S)-2-amino-2-cyclopentylethanol

Standard CAS: 1259906-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1259906-46-1
Multi CAS
No
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
SMILES
C1CCC(C1)[C@@H](CO)N
InChI
InChI=1S/C7H15NO/c8-7(5-9)6-3-1-2-4-6/h6-7,9H,1-5,8H2/t7-/m1/s1
InChIKey
REQSKJYQZWAJFK-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.02
TPSA
46.25

LogP / Solubility

WLOGP
0.5
MLOGP
0.43
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.15
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)
-3.16

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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