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CAS 1447606-51-0 1A,2,3,7B-TETRAHYDRO-1H-CYCLOPROPA[C]QUINOLINE molecular structure lightbox
CAS RN: 1447606-51-0

1A,2,3,7B-TETRAHYDRO-1H-CYCLOPROPA[C]QUINOLINE

  • Product code: SSC-056017
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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 1447606-51-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1447606-51-0 / 1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline

Standard CAS: 1447606-51-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1447606-51-0
Multi CAS
No
Molecular Formula
C10H11N
Molecular Weight
145.200000
Exact Mass
145.089149
SMILES
C1C2C1C3=CC=CC=C3NC2
InChI
InChI=1S/C10H11N/c1-2-4-10-8(3-1)9-5-7(9)6-11-10/h1-4,7,9,11H,5-6H2
InChIKey
OEHUSLVNUHYNLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.78
TPSA
12.03

LogP / Solubility

WLOGP
2.22
MLOGP
1.94
XLogP3
2.1
Consensus LogP
2.09
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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