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CAS 70958-18-8 1-(5-chloro-2-phenoxyphenyl)ethanone molecular structure lightbox
CAS RN: 70958-18-8

1-(5-chloro-2-phenoxyphenyl)ethanone

  • Product code: SSC-180643
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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 70958-18-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

70958-18-8 / 1-(5-chloro-2-phenoxyphenyl)ethanone

Standard CAS: 70958-18-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70958-18-8
Multi CAS
No
Molecular Formula
C14H11CLO2
Molecular Weight
246.690000
Exact Mass
246.044757
InChI
InChI=1S/C14H11ClO2/c1-10(16)13-9-11(15)7-8-14(13)17-12-5-3-2-4-6-12/h2-9H,1H3
InChIKey
IYZWKZDKXLAPDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
67.97
TPSA
26.3

LogP / Solubility

WLOGP
4.33
MLOGP
3.82
XLogP3
3.8
Consensus LogP
3.98
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15

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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