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CAS 317360-04-6 tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxyl molecular structure lightbox
CAS RN: 317360-04-6

tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxyl

  • Product code: SSC-137173
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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
  • 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 317360-04-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

317360-04-6 / tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate

Standard CAS: 317360-04-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
317360-04-6
Multi CAS
No
Molecular Formula
C14FH24NO4
Molecular Weight
289.340000
Exact Mass
289.168936
InChI
InChI=1S/C14H24FNO4/c1-5-19-12(17)8-10-6-7-16(9-11(10)15)13(18)20-14(2,3)4/h10-11H,5-9H2,1-4H3
InChIKey
SLVXHAKCMVOQSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
72.06
TPSA
55.84

LogP / Solubility

WLOGP
2.53
MLOGP
2.24
XLogP3
2.1
Consensus LogP
2.29
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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