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CAS 25108-58-1 1-bromo-3-(prop-1-en-2-yl)benzene molecular structure lightbox
CAS RN: 25108-58-1

1-bromo-3-(prop-1-en-2-yl)benzene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-120660
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 25108-58-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Hong Kong Inquiry
5g >95% 2 In Stock Beijing Inquiry
10g >95% 2 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry

25108-58-1 / 1-bromo-3-prop-1-en-2-ylbenzene

Standard CAS: 25108-58-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25108-58-1
Multi CAS
No
Molecular Formula
C9H9Br
Molecular Weight
197.070000
Exact Mass
195.988760
SMILES
CC(=C)C1=CC(=CC=C1)Br
InChI
InChI=1S/C9H9Br/c1-7(2)8-4-3-5-9(10)6-8/h3-6H,1H2,2H3
InChIKey
BHFSXGLQLQHDCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
Molar refractivity
48.85
TPSA
0.0000

LogP / Solubility

WLOGP
3.48
MLOGP
3.06
XLogP3
4
Consensus LogP
3.51
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-1.45

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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