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CAS 27328-86-5 3-(TRIFLUOROMETHYL)BENZOYLACETONITRILE molecular structure lightbox
CAS RN: 27328-86-5

3-(TRIFLUOROMETHYL)BENZOYLACETONITRILE

Product Availability

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8 package records5 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260528 100g In stock Inquiry
Batchno.20250522 1g In stock Inquiry
Batchno.20250415 25g In stock Inquiry
Batchno.20250908 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250329 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260218 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260322 1g Out of stock 8-10 business days Inquiry
Batchno.20260122 5g In stock Shanghai Inquiry
  • Product code: SSC-126370
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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, 5g
  • 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 27328-86-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

27328-86-5 / 3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile

Standard CAS: 27328-86-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27328-86-5
Multi CAS
No
Molecular Formula
C10H6F3NO
Molecular Weight
213.160000
Exact Mass
213.040148
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)CC#N
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-7(6-8)9(15)4-5-14/h1-3,6H,4H2
InChIKey
GEPORLBYZLQDOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46
TPSA
40.86

LogP / Solubility

WLOGP
2.8
MLOGP
2.47
XLogP3
2.4
Consensus LogP
2.56
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-2.03

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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