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CAS 571903-41-8 2-Methyl-5-bromobiphenyl molecular structure lightbox
CAS RN: 571903-41-8

2-Methyl-5-bromobiphenyl

  • Product code: SSC-165287
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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: 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 571903-41-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

571903-41-8 / 4-bromo-1-methyl-2-phenylbenzene

Standard CAS: 571903-41-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
571903-41-8
Multi CAS
No
Molecular Formula
C13H11BR
Molecular Weight
247.130000
Exact Mass
246.004410
InChI
InChI=1S/C13H11Br/c1-10-7-8-12(14)9-13(10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
WLUPXYLAXHKVKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
Molar refractivity
64.32
TPSA
0.0000

LogP / Solubility

WLOGP
4.42
MLOGP
3.9
XLogP3
4.6
Consensus LogP
4.31
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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)
-1.09

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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