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CAS 320-42-3 4-HYDROXY-2-(TRIFLUOROMETHYL)BENZONITRILE molecular structure lightbox
CAS RN: 320-42-3

4-HYDROXY-2-(TRIFLUOROMETHYL)BENZONITRILE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251007 1g In stock Inquiry
Batchno.20250821 250mg In stock Inquiry
Batchno.20260328 25g In stock Inquiry
Batchno.20260101 5g In stock Inquiry
  • Product code: SSC-137456
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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: ≥98%
  • 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 320-42-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

320-42-3 / 4-hydroxy-2-(trifluoromethyl)benzonitrile

Standard CAS: 320-42-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
320-42-3
Multi CAS
Yes
Molecular Formula
C8F3H4NO
Molecular Weight
187.120000
Exact Mass
187.024498
InChI
InChI=1S/C8H4F3NO/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3,13H
InChIKey
MDBVIOUGHSKRMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.82
TPSA
44.02

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.2
Consensus LogP
2.16
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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