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CAS 28049-63-0 1-(2-fluorophenyl)cyclobutanecarbonitrile molecular structure lightbox
CAS RN: 28049-63-0

1-(2-fluorophenyl)cyclobutanecarbonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250923 100mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-128689
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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 28049-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

28049-63-0 / 1-(2-fluorophenyl)cyclobutane-1-carbonitrile

Standard CAS: 28049-63-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28049-63-0
Multi CAS
No
Molecular Formula
C11FH10N
Molecular Weight
175.200000
Exact Mass
175.079727
InChI
InChI=1S/C11H10FN/c12-10-5-2-1-4-9(10)11(8-13)6-3-7-11/h1-2,4-5H,3,6-7H2
InChIKey
NZABHBZCJSJJAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47.54
TPSA
23.79

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.6
Consensus LogP
2.6
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-1.82

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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