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CAS 191327-86-3 1-Boc-4-ethynyl-4-fluoropiperidine molecular structure lightbox
CAS RN: 191327-86-3

1-Boc-4-ethynyl-4-fluoropiperidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250318 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-089635
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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 191327-86-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

191327-86-3 / tert-butyl 4-ethynyl-4-fluoropiperidine-1-carboxylate

Standard CAS: 191327-86-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191327-86-3
Multi CAS
No
Molecular Formula
C12H18FNO2
Molecular Weight
227.270000
Exact Mass
227.132157
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C#C)F
InChI
InChI=1S/C12H18FNO2/c1-5-12(13)6-8-14(9-7-12)10(15)16-11(2,3)4/h1H,6-9H2,2-4H3
InChIKey
DVGWDBGQOAGBTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.71
TPSA
29.54

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
1.9
Consensus LogP
2.11
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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