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CAS 29786-43-4 1-(3-(TrifluoroMethyl)phenyl)cyclobutanecarbonitrile molecular structure lightbox
CAS RN: 29786-43-4

1-(3-(TrifluoroMethyl)phenyl)cyclobutanecarbonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251229 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-132956
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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 29786-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

29786-43-4 / 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carbonitrile

Standard CAS: 29786-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29786-43-4
Multi CAS
No
Molecular Formula
C12F3H10N
Molecular Weight
225.210000
Exact Mass
225.076534
InChI
InChI=1S/C12H10F3N/c13-12(14,15)10-4-1-3-9(7-10)11(8-16)5-2-6-11/h1,3-4,7H,2,5-6H2
InChIKey
JOXWRFGWGJDQAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.59
TPSA
23.79

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
3.3
Consensus LogP
3.39
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
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)
-1.5

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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