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CAS 285-58-5 bicyclo(3.1.0)hexane molecular structure lightbox
CAS RN: 285-58-5

bicyclo(3.1.0)hexane

  • Product code: SSC-129879
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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 285-58-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

285-58-5 / bicyclo[3.1.0]hexane

Standard CAS: 285-58-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
285-58-5
Multi CAS
Yes
Molecular Formula
C6H10
Molecular Weight
82.140000
Exact Mass
82.078250
InChI
InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2
InChIKey
JAPMJSVZDUYFKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Molar refractivity
25.45
TPSA
0.0000

LogP / Solubility

WLOGP
1.81
MLOGP
1.58
XLogP3
2.5
Consensus LogP
1.96
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-1.94

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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