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CAS 2039-86-3 3-Bromostyrene (stabilized with TBC) molecular structure lightbox
CAS RN: 2039-86-3

3-Bromostyrene (stabilized with TBC)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250417 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei 8-10 business days Inquiry
  • Product code: SSC-095970
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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: 25g
  • 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 2039-86-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

2039-86-3 / 1-bromo-3-ethenylbenzene

Standard CAS: 2039-86-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2039-86-3
Multi CAS
No
Molecular Formula
C8H7Br
Molecular Weight
183.040000
Exact Mass
181.973110
SMILES
C=CC1=CC(=CC=C1)Br
InChI
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InChIKey
KQJQPCJDKBKSLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
Molar refractivity
44.23
TPSA
0.0000

LogP / Solubility

WLOGP
3.09
MLOGP
2.72
XLogP3
3.4
Consensus LogP
3.07
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64

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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