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CAS 694-90-6 2-BROMOBICYCLO[2.2.1]HEPT-2-ENE molecular structure lightbox
CAS RN: 694-90-6

2-BROMOBICYCLO[2.2.1]HEPT-2-ENE

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260527 100mg Out of stock Inquiry
Batchno.20250606 250mg Out of stock Inquiry
Batchno.20250203 50mg Out of stock Inquiry
  • Product code: SSC-179073
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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 694-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

694-90-6 / 2-bromobicyclo[2.2.1]hept-2-ene

Standard CAS: 694-90-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
694-90-6
Multi CAS
Yes
Molecular Formula
C7H9BR
Molecular Weight
173.050000
Exact Mass
171.988760
InChI
InChI=1S/C7H9Br/c8-7-4-5-1-2-6(7)3-5/h4-6H,1-3H2
InChIKey
YFZLLLGFQCVYCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.71
Molar refractivity
37.84
TPSA
0.0000

LogP / Solubility

WLOGP
2.7
MLOGP
2.37
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-1.86

Drug-likeness / Medicinal Chemistry

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

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