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CAS 946078-87-1 1,3-Difluoro-2-ethoxybenzene, 2,6-Difluorophenyl ethyl ether molecular structure lightbox
CAS RN: 946078-87-1

1,3-Difluoro-2-ethoxybenzene, 2,6-Difluorophenyl ethyl ether

  • Product code: SSC-209727
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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: 5g
  • 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 946078-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

946078-87-1 / 2-ethoxy-1,3-difluorobenzene

Standard CAS: 946078-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
946078-87-1
Multi CAS
No
Molecular Formula
C8F2H8O
Molecular Weight
158.140000
Exact Mass
158.054321
InChI
InChI=1S/C8H8F2O/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5H,2H2,1H3
InChIKey
FWGGXGUIXTZGJT-UHFFFAOYSA-N

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
37.53
TPSA
9.23

LogP / Solubility

WLOGP
2.36
MLOGP
2.07
XLogP3
2.5
Consensus LogP
2.31
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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