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CAS 894769-77-8 1-BOC-4-CYANO-4-(4-FLUOROBENZYL)-PIPERIDINE molecular structure lightbox
CAS RN: 894769-77-8

1-BOC-4-CYANO-4-(4-FLUOROBENZYL)-PIPERIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-201436
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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 894769-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

894769-77-8 / tert-butyl 4-cyano-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylate

Standard CAS: 894769-77-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
894769-77-8
Multi CAS
No
Molecular Formula
C18FH23N2O2
Molecular Weight
318.400000
Exact Mass
318.174356
InChI
InChI=1S/C18H23FN2O2/c1-17(2,3)23-16(22)21-10-8-18(13-20,9-11-21)12-14-4-6-15(19)7-5-14/h4-7H,8-12H2,1-3H3
InChIKey
LKIRYAYVQPULQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
85.19
TPSA
53.33

LogP / Solubility

WLOGP
3.91
MLOGP
3.45
XLogP3
3.2
Consensus LogP
3.52
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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