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CAS 605659-03-8 4,4-DIFLUOROAMINOETHYLPIPERIDINE molecular structure lightbox
CAS RN: 605659-03-8

4,4-DIFLUOROAMINOETHYLPIPERIDINE

  • Product code: SSC-169176
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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: 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 605659-03-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

605659-03-8 / 2-(4,4-difluoropiperidin-1-yl)ethanamine

Standard CAS: 605659-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
605659-03-8
Multi CAS
No
Molecular Formula
C7F2H14N2
Molecular Weight
164.200000
Exact Mass
164.112505
InChI
InChI=1S/C7H14F2N2/c8-7(9)1-4-11(5-2-7)6-3-10/h1-6,10H2
InChIKey
BVYNFUYPUXPMCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.68
TPSA
29.26

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
0.5
Consensus LogP
0.59
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
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)
-3.24

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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