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CAS 694-91-7 5-METHYLENE-2-NORBORNENE molecular structure lightbox
CAS RN: 694-91-7

5-METHYLENE-2-NORBORNENE

  • Product code: SSC-179074
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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: 5g
  • 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 694-91-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

694-91-7 / 5-methylidenebicyclo[2.2.1]hept-2-ene

Standard CAS: 694-91-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
694-91-7
Multi CAS
Yes
Molecular Formula
C8H10
Molecular Weight
106.160000
Exact Mass
106.078250
InChI
InChI=1S/C8H10/c1-6-4-7-2-3-8(6)5-7/h2-3,7-8H,1,4-5H2
InChIKey
WTQBISBWKRKLIJ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Molar refractivity
34.49
TPSA
0.0000

LogP / Solubility

WLOGP
2.14
MLOGP
1.87
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
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)
-1.85

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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