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CAS 72320-39-9 trans-2-Amino-cyclobutanol molecular structure lightbox
CAS RN: 72320-39-9

trans-2-Amino-cyclobutanol

  • Product code: SSC-181852
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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 72320-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

72320-39-9 / cis-(1S,2R)-2-aminocyclobutan-1-ol

Standard CAS: 72320-39-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72320-39-9
Multi CAS
Yes
Molecular Formula
C4H9NO
Molecular Weight
87.120000
Exact Mass
87.068414
InChI
InChI=1S/C4H9NO/c5-3-1-2-4(3)6/h3-4,6H,1-2,5H2/t3-,4+/m1/s1
InChIKey
WXKBWWIWJCCING-DMTCNVIQSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
23.22
TPSA
46.25

LogP / Solubility

WLOGP
-0.53
MLOGP
-0.48
XLogP3
-0.8
Consensus LogP
-0.6
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
0.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.21
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.63

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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