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CAS 876299-65-9 4-Bromo-1-ethyl-2-methoxybenzene molecular structure lightbox
CAS RN: 876299-65-9

4-Bromo-1-ethyl-2-methoxybenzene

  • Product code: SSC-197788
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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 876299-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

876299-65-9 / 4-bromo-1-ethyl-2-methoxybenzene

Standard CAS: 876299-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
876299-65-9
Multi CAS
No
Molecular Formula
C9H11BRO
Molecular Weight
215.090000
Exact Mass
213.999330
InChI
InChI=1S/C9H11BrO/c1-3-7-4-5-8(10)6-9(7)11-2/h4-6H,3H2,1-2H3
InChIKey
BIDHQMJRQFWEDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
50.07
TPSA
9.23

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
3.5
Consensus LogP
3.06
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-1.89

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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