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CAS 2595-90-6 3-(BROMOMETHYL)PYRENE molecular structure lightbox
CAS RN: 2595-90-6

3-(BROMOMETHYL)PYRENE

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 1g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251123 100mg In stock Shanghai Inquiry
Batchno.20250825 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250917 250mg In stock Shanghai Inquiry
Batchno.20251212 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250830 5g In stock Shanghai Inquiry
  • Product code: SSC-122669
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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 2595-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

2595-90-6 / 1-(bromomethyl)pyrene

Standard CAS: 2595-90-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2595-90-6
Multi CAS
No
Molecular Formula
C17H11Br
Molecular Weight
295.200000
Exact Mass
294.004410
SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CBr
InChI
InChI=1S/C17H11Br/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9H,10H2
InChIKey
UGMXRPVWWWDPFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
Molar refractivity
82.78
TPSA
0.0000

LogP / Solubility

WLOGP
5.48
MLOGP
4.83
XLogP3
5.6
Consensus LogP
5.3
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.25
Class (SILICOS-IT)
Insoluble

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)
-0.63

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
2

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