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CAS 2417-77-8 9-(bromomethyl)anthracene molecular structure lightbox
CAS RN: 2417-77-8

9-(bromomethyl)anthracene

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260407 100g In stock Shanghai Inquiry
Batchno.20250906 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260410 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250228 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Chongqing, Guangdong Inquiry
Batchno.20260509 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250105 500g In stock Shanghai Inquiry
Batchno.20250525 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-118069
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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: 0.25g, 1g, 5g
  • 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 2417-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

2417-77-8 / 9-(bromomethyl)anthracene

Standard CAS: 2417-77-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2417-77-8
Multi CAS
No
Molecular Formula
C15H11Br
Molecular Weight
271.150000
Exact Mass
270.004410
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CBr
InChI
InChI=1S/C15H11Br/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
InChIKey
KOWKPLCVFRHICH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
Fraction Csp3
0.07
Rotatable bonds
1
Molar refractivity
74.09
TPSA
0.0000

LogP / Solubility

WLOGP
4.89
MLOGP
4.31
XLogP3
5.3
Consensus LogP
4.83
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
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)
-0.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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