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CAS 56326-98-8 4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXANONE molecular structure lightbox
CAS RN: 56326-98-8

4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXANONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251015 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-164305
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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: 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 56326-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

56326-98-8 / 1-(4-fluorophenyl)-4-oxocyclohexane-1-carbonitrile

Standard CAS: 56326-98-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56326-98-8
Multi CAS
Yes
Molecular Formula
C13FH12NO
Molecular Weight
217.240000
Exact Mass
217.090292
InChI
InChI=1S/C13H12FNO/c14-11-3-1-10(2-4-11)13(9-15)7-5-12(16)6-8-13/h1-4H,5-8H2
InChIKey
FNWWTNNFZGBMEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
57.17
TPSA
40.86

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
1.7
Consensus LogP
2.28
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-2.11

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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