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CAS 15364-55-3 9-Bromotriptycene molecular structure lightbox
CAS RN: 15364-55-3

9-Bromotriptycene

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250117 100mg In stock Inquiry
Batchno.20260505 1g In stock Inquiry
Batchno.20250929 200mg In stock Inquiry
Batchno.20250109 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-063041
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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: ≥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 15364-55-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

15364-55-3 / 1-bromopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene

Standard CAS: 15364-55-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15364-55-3
Multi CAS
No
Molecular Formula
C20H13Br
Molecular Weight
333.200000
Exact Mass
332.020060
SMILES
C1=CC=C2C(=C1)C3C4=CC=CC=C4C2(C5=CC=CC=C35)Br
InChI
InChI=1S/C20H13Br/c21-20-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)20)15-9-3-6-12-18(15)20/h1-12,19H
InChIKey
HSROKCVTEYMWHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Fraction Csp3
0.1
Molar refractivity
89.08
TPSA
0.0000

LogP / Solubility

WLOGP
5.18
MLOGP
4.57
XLogP3
5.2
Consensus LogP
4.98
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.13
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
No
Log Kp (skin permeation)
-1.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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