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CAS 2260936-52-3 2-oxabicyclo[2.1.1]hexan-4-amine hydrochloride molecular structure lightbox
CAS RN: 2260936-52-3

2-oxabicyclo[2.1.1]hexan-4-amine hydrochloride

  • Product code: SSC-110508
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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, 0.25g, 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 2260936-52-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

2260936-52-3 / 2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride

Standard CAS: 2260936-52-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2260936-52-3
Multi CAS
No
Molecular Formula
C5H10ClNO
Molecular Weight
135.590000
Exact Mass
135.045092
SMILES
C1C2CC1(CO2)N.Cl
InChI
InChI=1S/C5H9NO.ClH/c6-5-1-4(2-5)7-3-5;/h4H,1-3,6H2;1H
InChIKey
PATLGGOUPHZXPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.14
TPSA
35.25

LogP / Solubility

WLOGP
0.3
MLOGP
0.25
XLogP3
0.3
Consensus LogP
0.28
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
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)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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