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CAS 1419101-03-3 1-Cbz-3-fluoro-3,6-dihydro-2H-pyridine molecular structure lightbox
CAS RN: 1419101-03-3

1-Cbz-3-fluoro-3,6-dihydro-2H-pyridine

  • Product code: SSC-052585
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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 1419101-03-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1419101-03-3 / benzyl 3-fluoro-3,6-dihydro-2H-pyridine-1-carboxylate

Standard CAS: 1419101-03-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1419101-03-3
Multi CAS
No
Molecular Formula
C13H14FNO2
Molecular Weight
235.250000
Exact Mass
235.100857
SMILES
C1C=CC(CN1C(=O)OCC2=CC=CC=C2)F
InChI
InChI=1S/C13H14FNO2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-7,12H,8-10H2
InChIKey
WERNXLLMQDGBRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
62.24
TPSA
29.54

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.2
Consensus LogP
2.32
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.36

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
2

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