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CAS 36881-42-2 1-(BROMOMETHYL)-4-PHENOXYBENZENE molecular structure lightbox
CAS RN: 36881-42-2

1-(BROMOMETHYL)-4-PHENOXYBENZENE

  • Product code: SSC-144137
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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: 1g
  • 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 36881-42-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

36881-42-2 / 1-(bromomethyl)-4-phenoxybenzene

Standard CAS: 36881-42-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36881-42-2
Multi CAS
No
Molecular Formula
C13H11BRO
Molecular Weight
263.130000
Exact Mass
261.999330
InChI
InChI=1S/C13H11BrO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10H2
InChIKey
CPIGBCFBFZSCQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
65.59
TPSA
9.23

LogP / Solubility

WLOGP
4.37
MLOGP
3.86
XLogP3
4
Consensus LogP
4.08
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
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)
-1.22

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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