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CAS 84460-89-9 1-NaphthalenecarboxaMide, N-(2-aMinoethyl)-1,2,3,4-tetrahydro- molecular structure lightbox
CAS RN: 84460-89-9

1-NaphthalenecarboxaMide, N-(2-aMinoethyl)-1,2,3,4-tetrahydro-

  • Product code: SSC-191950
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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 84460-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

84460-89-9 / N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

Standard CAS: 84460-89-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84460-89-9
Multi CAS
Yes
Molecular Formula
C13H18N2O
Molecular Weight
218.290000
Exact Mass
218.141913
InChI
InChI=1S/C13H18N2O/c14-8-9-15-13(16)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12H,3,5,7-9,14H2,(H,15,16)
InChIKey
ASNYEBSCXSIDAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.19
TPSA
55.12

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
1.2
Consensus LogP
1.14
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.21

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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