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CAS 1032464-58-6 1-(2,4-Difluorophenyl)cyclobutanecarbonitrile molecular structure lightbox
CAS RN: 1032464-58-6

1-(2,4-Difluorophenyl)cyclobutanecarbonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260113 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-004671
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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 1032464-58-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1032464-58-6 / 1-(2,4-difluorophenyl)cyclobutane-1-carbonitrile

1-(2,4-Difluorophenyl)cyclobutanecarbonitrile | 1-(2,4-difluorophenyl)cyclobutane-1-carbonitrile | MFCD11036678

Standard CAS: 1032464-58-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1032464-58-6
Multi CAS
No
Molecular Formula
C11H9F2N
Molecular Weight
193.190000
Exact Mass
193.070306
SMILES
C1CC(C1)(C#N)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C11H9F2N/c12-8-2-3-9(10(13)6-8)11(7-14)4-1-5-11/h2-3,6H,1,4-5H2
InChIKey
FWBCQKLSRKGVJV-UHFFFAOYSA-N
Synonyms
1-(2,4-Difluorophenyl)cyclobutanecarbonitrile 1-(2,4-difluorophenyl)cyclobutane-1-carbonitrile MFCD11036678 SCHEMBL18742523 AC2751

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47.5
TPSA
23.79

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-1.83

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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