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CAS 2624315-46-2 2-bromo-3-fluorotriphenylene molecular structure lightbox
CAS RN: 2624315-46-2

2-bromo-3-fluorotriphenylene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 100mg / 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-123536
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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: ＞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 2624315-46-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

2624315-46-2 / 2-bromo-3-fluorotriphenylene

Standard CAS: 2624315-46-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2624315-46-2
Multi CAS
No
Molecular Formula
C18H10BrF
Molecular Weight
325.200000
Exact Mass
323.994990
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC(=C(C=C24)F)Br
InChI
InChI=1S/C18H10BrF/c19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)20/h1-10H
InChIKey
NJSKTGXZRBGSQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
H-bond acceptors
1
Molar refractivity
86.62
TPSA
0.0000

LogP / Solubility

WLOGP
6.05
MLOGP
5.34
XLogP3
5.7
Consensus LogP
5.7
Log S (ESOL)
-6.33
Class (ESOL)
Insoluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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