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CAS 2606-57-7 1-(BROMOMETHYL)-4-ETHOXYBENZENE molecular structure lightbox
CAS RN: 2606-57-7

1-(BROMOMETHYL)-4-ETHOXYBENZENE

  • Product code: SSC-122903
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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: ≥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 2606-57-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2606-57-7 / 1-(bromomethyl)-4-ethoxybenzene

Standard CAS: 2606-57-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2606-57-7
Multi CAS
No
Molecular Formula
C9H11BrO
Molecular Weight
215.090000
Exact Mass
213.999330
SMILES
CCOC1=CC=C(C=C1)CBr
InChI
InChI=1S/C9H11BrO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7H2,1H3
InChIKey
QAYLIWBLUTYRTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
50.24
TPSA
9.23

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
3
Consensus LogP
2.87
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-1.92

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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