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CAS 302912-28-3 2 2 2 3′ 4′-PENTAFLUOROACETOPHENONE 95 molecular structure lightbox
CAS RN: 302912-28-3

2 2 2 3′ 4′-PENTAFLUOROACETOPHENONE 95

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-134266
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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 302912-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

302912-28-3 / 1-(3,4-difluorophenyl)-2,2,2-trifluoroethanone

Standard CAS: 302912-28-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
302912-28-3
Multi CAS
No
Molecular Formula
C8F5H3O
Molecular Weight
210.100000
Exact Mass
210.010406
InChI
InChI=1S/C8H3F5O/c9-5-2-1-4(3-6(5)10)7(14)8(11,12)13/h1-3H
InChIKey
WEKSIOBQIQXAEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.74
TPSA
17.07

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
3.1
Consensus LogP
2.73
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.08

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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