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CAS 71648-45-8 2′-Chloro-5′-(trifluoromethyl)acetophenone molecular structure lightbox
CAS RN: 71648-45-8

2′-Chloro-5′-(trifluoromethyl)acetophenone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250217 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-181224
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 71648-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry

71648-45-8 / 1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone

Standard CAS: 71648-45-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71648-45-8
Multi CAS
Yes
Molecular Formula
C9H6CLF3O
Molecular Weight
222.590000
Exact Mass
222.005927
InChI
InChI=1S/C9H6ClF3O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3
InChIKey
YRGBMTWHOFQSDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.46
TPSA
17.07

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
3.1
Consensus LogP
3.27
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-1.55

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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