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CAS 832737-45-8 1-(4-FLUORO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 832737-45-8

1-(4-FLUORO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE

  • Product code: SSC-191166
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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: ≥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 832737-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

832737-45-8 / 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylic acid

Standard CAS: 832737-45-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
832737-45-8
Multi CAS
Yes
Molecular Formula
C13FH16NO2
Molecular Weight
237.270000
Exact Mass
237.116507
InChI
InChI=1S/C13H16FNO2/c14-12-5-3-10(4-6-12)8-15-7-1-2-11(9-15)13(16)17/h3-6,11H,1-2,7-9H2,(H,16,17)
InChIKey
QBEDEVJXKRAWAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.04
TPSA
40.54

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
-0.4
Consensus LogP
1.2
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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