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CAS 727-99-1 2-(TRIFLUOROMETHYL)BENZOPHENONE molecular structure lightbox
CAS RN: 727-99-1

2-(TRIFLUOROMETHYL)BENZOPHENONE

  • Product code: SSC-182191
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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 727-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

727-99-1 / phenyl-[2-(trifluoromethyl)phenyl]methanone

Standard CAS: 727-99-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
727-99-1
Multi CAS
Yes
Molecular Formula
C14F3H9O
Molecular Weight
250.210000
Exact Mass
250.060549
InChI
InChI=1S/C14H9F3O/c15-14(16,17)12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9H
InChIKey
JXIWJBWMQXDALU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.32
TPSA
17.07

LogP / Solubility

WLOGP
3.94
MLOGP
3.47
XLogP3
4.1
Consensus LogP
3.84
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-1.45

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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