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CAS 933712-85-7 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]methanamine(SALTDATA: HCl) molecular structure lightbox
CAS RN: 933712-85-7

1-[1-(4-fluorophenyl)pyrrolidin-3-yl]methanamine(SALTDATA: HCl)

  • Product code: SSC-207426
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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 933712-85-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

933712-85-7 / [1-(4-fluorophenyl)pyrrolidin-3-yl]methanamine

Standard CAS: 933712-85-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
933712-85-7
Multi CAS
Yes
Molecular Formula
C11FH15N2
Molecular Weight
194.250000
Exact Mass
194.121927
InChI
InChI=1S/C11H15FN2/c12-10-1-3-11(4-2-10)14-6-5-9(7-13)8-14/h1-4,9H,5-8,13H2
InChIKey
GFKMUGMDHUMQAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.77
TPSA
29.26

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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)
-2.76

Drug-likeness / Medicinal Chemistry

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

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