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CAS 30427-93-1 1-BROMO-4-(P-TOLYLOXY)BENZENE molecular structure lightbox
CAS RN: 30427-93-1

1-BROMO-4-(P-TOLYLOXY)BENZENE

  • Product code: SSC-134847
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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 30427-93-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

30427-93-1 / 1-bromo-4-(4-methylphenoxy)benzene

Standard CAS: 30427-93-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30427-93-1
Multi CAS
No
Molecular Formula
C13H11BRO
Molecular Weight
263.130000
Exact Mass
261.999330
InChI
InChI=1S/C13H11BrO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,1H3
InChIKey
GZPHCGDZZUOIAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
65.4
TPSA
9.23

LogP / Solubility

WLOGP
4.55
MLOGP
4.01
XLogP3
4.5
Consensus LogP
4.35
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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