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CAS 128802-98-2 CYCLOHEXYL-PYRIDIN-4-YLMETHYL-AMINE molecular structure lightbox
CAS RN: 128802-98-2

CYCLOHEXYL-PYRIDIN-4-YLMETHYL-AMINE

  • Product code: SSC-035966
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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: ≥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 128802-98-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

128802-98-2 / N-(pyridin-4-ylmethyl)cyclohexanamine

Standard CAS: 128802-98-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128802-98-2
Multi CAS
No
Molecular Formula
C12H18N2
Molecular Weight
190.280000
Exact Mass
190.146999
SMILES
C1CCC(CC1)NCC2=CC=NC=C2
InChI
InChI=1S/C12H18N2/c1-2-4-12(5-3-1)14-10-11-6-8-13-9-7-11/h6-9,12,14H,1-5,10H2
InChIKey
LSAPGRIUVWGKBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.95
TPSA
24.92

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2
Consensus LogP
2.23
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
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)
-2.1

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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