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CAS 23927-42-6 Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,12-dibromo-, stereoisomer molecular structure lightbox
CAS RN: 23927-42-6

Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,12-dibromo-, stereoisomer

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250627 1g In stock Shanghai Inquiry
Batchno.20250117 250mg In stock Shanghai Inquiry
Batchno.20250519 5g Out of stock Inquiry
  • Product code: SSC-116852
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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 23927-42-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

23927-42-6 / 5,12-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

Standard CAS: 23927-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23927-42-6
Multi CAS
No
Molecular Formula
C16H14Br2
Molecular Weight
366.090000
Exact Mass
365.944180
SMILES
C1CC2=CC(=C(CCC3=C(C=C1C=C3)Br)C=C2)Br
InChI
InChI=1S/C16H14Br2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2
InChIKey
YTVHCBMSDDDSSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Molar refractivity
83.1
TPSA
0.0000

LogP / Solubility

WLOGP
5.1
MLOGP
4.5
XLogP3
5.8
Consensus LogP
5.13
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

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