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CAS 260065-85-8 Cyclopentanol,2-amino-,(1R,2S)-(9CI) molecular structure lightbox
CAS RN: 260065-85-8

Cyclopentanol,2-amino-,(1R,2S)-(9CI)

  • Product code: SSC-122821
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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: 0.1g
  • 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 260065-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

260065-85-8 / 2-aminocyclopentan-1-ol

Standard CAS: 260065-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
260065-85-8
Multi CAS
No
Molecular Formula
C5H11NO
Molecular Weight
101.150000
Exact Mass
101.084064
SMILES
C1CC(C(C1)O)N
InChI
InChI=1S/C5H11NO/c6-4-2-1-3-5(4)7/h4-5,7H,1-3,6H2/t4-,5+/m0/s1
InChIKey
JFFOUICIRBXFRC-CRCLSJGQSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
27.83
TPSA
46.25

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.14
XLogP3
-0.4
Consensus LogP
-0.23
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.29
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
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)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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