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CAS 69189-19-1 4-broMo-1,2-bis(broMoMethyl)benzene molecular structure lightbox
CAS RN: 69189-19-1

4-broMo-1,2-bis(broMoMethyl)benzene

  • Product code: SSC-178804
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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, 10g
  • 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 69189-19-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

69189-19-1 / 4-bromo-1,2-bis(bromomethyl)benzene

Standard CAS: 69189-19-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69189-19-1
Multi CAS
No
Molecular Formula
C8H7BR3
Molecular Weight
342.850000
Exact Mass
341.807740
InChI
InChI=1S/C8H7Br3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,4-5H2
InChIKey
PJYGXPFKKAJUBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
Molar refractivity
59.4
TPSA
0.0000

LogP / Solubility

WLOGP
4.24
MLOGP
3.75
XLogP3
3.7
Consensus LogP
3.9
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

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

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