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CAS 1094283-08-5 4-(3-Fluorophenyl)tetrahydro-2H-pyran-4-amine molecular structure lightbox
CAS RN: 1094283-08-5

4-(3-Fluorophenyl)tetrahydro-2H-pyran-4-amine

  • Product code: SSC-010744
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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 1094283-08-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1094283-08-5 / 4-(3-fluorophenyl)oxan-4-amine

4-(3-fluorophenyl)oxan-4-amine | 4-(3-Fluorophenyl)tetrahydro-2H-pyran-4-amine | MFCD11186129

Standard CAS: 1094283-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1094283-08-5
Multi CAS
No
Molecular Formula
C11H14FNO
Molecular Weight
195.230000
Exact Mass
195.105942
SMILES
C1COCCC1(C2=CC(=CC=C2)F)N
InChI
InChI=1S/C11H14FNO/c12-10-3-1-2-9(8-10)11(13)4-6-14-7-5-11/h1-3,8H,4-7,13H2
InChIKey
OJNPVEMLVYDCER-UHFFFAOYSA-N
Synonyms
4-(3-fluorophenyl)oxan-4-amine 4-(3-Fluorophenyl)tetrahydro-2H-pyran-4-amine MFCD11186129 starbld0016784 SCHEMBL26511366

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.32
TPSA
35.25

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
1.1
Consensus LogP
1.49
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.64

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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