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CAS 1344145-38-5 cis-3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutane-1-carbonitrile molecular structure lightbox
CAS RN: 1344145-38-5

cis-3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutane-1-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260111 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-042131
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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 1344145-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1344145-38-5 / 3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carbonitrile

Standard CAS: 1344145-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1344145-38-5
Multi CAS
No
Molecular Formula
C10H8F2N2
Molecular Weight
194.180000
Exact Mass
194.065555
SMILES
C1C(CC1(C#N)C2=C(C=CC=N2)F)F
InChI
InChI=1S/C10H8F2N2/c11-7-4-10(5-7,6-13)9-8(12)2-1-3-14-9/h1-3,7H,4-5H2
InChIKey
PYQZBJMJOBGAKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.62
TPSA
36.68

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
1.4
Consensus LogP
1.79
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.4

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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