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CAS 335-08-0 2-Hydroxy-2-(trifluoromethyl)propionitrile molecular structure lightbox
CAS RN: 335-08-0

2-Hydroxy-2-(trifluoromethyl)propionitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250724 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-139598
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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: ≥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 335-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

335-08-0 / 3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile

Standard CAS: 335-08-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
335-08-0
Multi CAS
Yes
Molecular Formula
C4F3H4NO
Molecular Weight
139.080000
Exact Mass
139.024498
InChI
InChI=1S/C4H4F3NO/c1-3(9,2-8)4(5,6)7/h9H,1H3
InChIKey
XDCMNDCKYSQKAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
22.29
TPSA
44.02

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.7
Consensus LogP
0.75
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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