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CAS 2051-98-1 5-Bromoacenaphthene molecular structure lightbox
CAS RN: 2051-98-1

5-Bromoacenaphthene

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 100g In stock Inquiry
Batchno.20260323 1g In stock Inquiry
Batchno.20250223 25g In stock Inquiry
Batchno.20250610 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-096502
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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 2051-98-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

2051-98-1 / 5-bromo-1,2-dihydroacenaphthylene

Standard CAS: 2051-98-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2051-98-1
Multi CAS
No
Molecular Formula
C12H9Br
Molecular Weight
233.100000
Exact Mass
231.988760
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)Br
InChI
InChI=1S/C12H9Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
InChIKey
QALKJGMGKYKMKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.17
Molar refractivity
59.06
TPSA
0.0000

LogP / Solubility

WLOGP
3.7
MLOGP
3.26
XLogP3
4.7
Consensus LogP
3.89
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

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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