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CAS 60876-70-2 1-BROMO-4-TERT-BUTOXYBENZENE molecular structure lightbox
CAS RN: 60876-70-2

1-BROMO-4-TERT-BUTOXYBENZENE

  • Product code: SSC-169553
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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: 25g
  • 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 60876-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

60876-70-2 / 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene

Standard CAS: 60876-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60876-70-2
Multi CAS
No
Molecular Formula
C10H13BRO
Molecular Weight
229.110000
Exact Mass
228.014980
InChI
InChI=1S/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3
InChIKey
QIWQHUCUWNGYDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.52
TPSA
9.23

LogP / Solubility

WLOGP
3.63
MLOGP
3.19
XLogP3
3.6
Consensus LogP
3.47
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-1.54

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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