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CAS 823-02-9 Bicyclo[3.2.1]oct-2-ene molecular structure lightbox
CAS RN: 823-02-9

Bicyclo[3.2.1]oct-2-ene

  • Product code: SSC-190458
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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: ≥98%
  • 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 823-02-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

823-02-9 / bicyclo[3.2.1]oct-2-ene

Standard CAS: 823-02-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
823-02-9
Multi CAS
Yes
Molecular Formula
C8H12
Molecular Weight
108.180000
Exact Mass
108.093900
InChI
InChI=1S/C8H12/c1-2-7-4-5-8(3-1)6-7/h1-2,7-8H,3-6H2
InChIKey
YEHSTKKZWWSIMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Molar refractivity
34.59
TPSA
0.0000

LogP / Solubility

WLOGP
2.36
MLOGP
2.07
XLogP3
2.8
Consensus LogP
2.41
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-1.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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