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CAS 694-87-1 Benzocyclobutene molecular structure lightbox
CAS RN: 694-87-1

Benzocyclobutene

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260228 100g Out of stock Inquiry
Batchno.20251206 10g In stock Shanghai Inquiry
Batchno.20260606 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250917 25g In stock Shanghai Inquiry
Batchno.20250626 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-179072
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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, 5g, 10g, 25g
  • Available purity: ≥97%
  • 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 694-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

694-87-1 / bicyclo[4.2.0]octa-1,3,5-triene

Standard CAS: 694-87-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
694-87-1
Multi CAS
Yes
Molecular Formula
C8H8
Molecular Weight
104.150000
Exact Mass
104.062600
InChI
InChI=1S/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H2
InChIKey
UMIVXZPTRXBADB-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.25
Molar refractivity
33.85
TPSA
0.0000

LogP / Solubility

WLOGP
1.79
MLOGP
1.56
XLogP3
1.8
Consensus LogP
1.72
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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