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CAS 115467-08-8 4-BROMO-1-ETHOXY-2-FLUOROBENZENE molecular structure lightbox
CAS RN: 115467-08-8

4-BROMO-1-ETHOXY-2-FLUOROBENZENE

  • Product code: SSC-015219
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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 115467-08-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

115467-08-8 / 4-bromo-1-ethoxy-2-fluorobenzene

4-Bromo-1-ethoxy-2-fluorobenzene | 4-Bromo-2-fluoroethoxybenzene | MFCD09907659

Standard CAS: 115467-08-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115467-08-8
Multi CAS
Yes
Molecular Formula
C8H8BrFO
Molecular Weight
219.050000
Exact Mass
217.974260
SMILES
CCOC1=C(C=C(C=C1)Br)F
InChI
InChI=1S/C8H8BrFO/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3
InChIKey
ZMTIHOQUIPYSQK-UHFFFAOYSA-N
Synonyms
4-Bromo-1-ethoxy-2-fluorobenzene 4-Bromo-2-fluoroethoxybenzene MFCD09907659 Benzene, 4-bromo-1-ethoxy-2-fluoro- 4-bromo-1-ethoxy-2-fluoro-benzene

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
45.27
TPSA
9.23

LogP / Solubility

WLOGP
2.99
MLOGP
2.63
XLogP3
3.1
Consensus LogP
2.91
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
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)
-1.94

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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